![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315 Kiʻi Manaʻo](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 721.80 | - |
| Lae hehee (Hoʻokolohua) | 107-110 °C | - |
| ʻAiʻa (Wanamua) | 1.26±0.1 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr |
| pKa (Wanamua) | 8.60±0.40 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
Canonical SMILES O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6 =CC=C(OC)C=C6)C(O)C3OCCOC)C
NĀ ʻAʻO ʻIsomeric
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(NC(=O)C3=CC=CC =C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5) C6=CC=CC=C6
InChI
InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11-7-5-8-12-28)39-36(51- 24-23-48-2)35(45)34(53-39)26-52-41(29-13)
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18-31/h5-22 ,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
InChI Ki
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Na inoa e ae no keia mea
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI);10: PN: WO03084478 PAGE: 57 i koi iā RNA;12: PN: US20030170636 PAGE: 17 i koi iā R NA;13: PN: US20030212017 PAGE: 19 i koi iā R NA;14: PN: US20030
211606 PAGE: 19 i koi ia R NA;15: PN: US20040005569 PAGE: 22 i koi ʻia ʻo R NA;16: PN: US20040006030 PAGE: 22 i koi iā R NA;16: PN: US20040014048 PAGE: 20 i koi ʻia ʻo R NA;17: PN: US20030171313 PAGE: 9 koi ʻia ʻo R NA;17: PN: US20040005565 PAGE: 17- 22 i koi ʻia ʻo RNA;17: PN: US20040005570 PAGE: 20 i koi ʻia ʻo R NA;17: PN: US20040014047 PAGE: 20 i koi ʻia ʻo R NA;17: PN: US20040 014050 PAGE: 20 koi ʻia ʻo R NA;18: PN: US20030198965 PAGE: 19 i koi ʻia ʻo R NA;18: PN: US20040014699 PAGE: 20 i koi ʻia ʻo R NA;19: PN: US20040006029 PAGE: 23 i koi ʻia ʻo R NA;19: PN: WO03106645 PAGE: 71 koi ʻia ʻo R NA;59: PN: US20030166592 PAGE: 15 i koi ʻia ʻo RNA;6: PN: WO2005006958 PAGE: 62 koi ʻia ʻo R NA;83: PN: US20040171566 PAGE: 18 i koi ʻia ʻo R NA;8: PN: WO2005007825
PAGE: 62 i koi ia R NA;90: PN: US20040005707 PAGE: 20 i koi ʻia ʻo R NA;N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytriyl-5-
methylcytidine
| Loaʻa nā waiwai |
| Māmā |
Māmā
| Waiwai | Waiwai | Kūlana | Puna |
| Lae hehee | 107-110 °C | (1) CAS | |
(1) Penjarla, Srishylam;Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
Loaʻa ka Spectra
1H NMR
13C NMR
| Loaʻa nā waiwai |
| olaola |
| Kemika |
| ʻO ka mānoanoa |
| Lipinski |
| Hoʻonohonoho pili |
olaola
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 291 | pH 1;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 644 | pH 2;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 3690 | pH 3;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 15600 | pH 4;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 23700 | pH 5;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 24800 | pH 6;Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 23300 | pH 7;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 14100 | pH 8;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 3010 | pH 9;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 558 | pH 10;Mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kemika
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 569 | pH 1;Mahana: 25 °C | (1) ACD |
| Koc | 1260 | pH 2;Mahana: 25 °C | (1) ACD |
| Koc | 7210 | pH 3;Mahana: 25 °C | (1) ACD |
| Koc | 30400 | pH 4;Mahana: 25 °C | (1) ACD |
| Koc | 46300 | pH 5;Mahana: 25 °C | (1) ACD |
| Koc | 48500 | pH 6;Mahana: 25 °C | (1) ACD |
| Koc | 45500 | pH 7;Mahana: 25 °C | (1) ACD |
| Koc | 27500 | pH 8;Mahana: 25 °C | (1) ACD |
| Koc | 5890 | pH 9;Mahana: 25 °C | (1) ACD |
| Koc | 1090 | pH 10;Mahana: 25 °C | (1) ACD |
| logD | 4.16 | pH 1;Mahana: 25 °C | (1) ACD |
| logD | 4.50 | pH 2;Mahana: 25 °C | (1) ACD |
| logD | 5.26 | pH 3;Mahana: 25 °C | (1) ACD |
| logD | 5.88 | pH 4;Mahana: 25 °C | (1) ACD |
| logD | 6.07 | pH 5;Mahana: 25 °C | (1) ACD |
| logD | 6.09 | pH 6;Mahana: 25 °C | (1) ACD |
| logD | 6.06 | pH 7;Mahana: 25 °C | (1) ACD |
| logD | 5.84 | pH 8;Mahana: 25 °C | (1) ACD |
| logD | 5.17 | pH 9;Mahana: 25 °C | (1) ACD |
| logD | 4.44 | pH 10;Mahana: 25 °C | (1) ACD |
| logP | 6.093±0.720 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 1.3 x 10-4 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.011 g/L | pH 1;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.0 x 10-3 g/L | pH 2;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 8.7 x 10-4 g/L | pH 3;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 2.1 x 10-4 g/L | pH 4;Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Ka hoʻoheheʻe nui | 1.4 x 10-4 g/L | pH 5;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.3 x 10-4 g/L | pH 6;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.4 x 10-4 g/L | pH 7;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 2.3 x 10-4 g/L | pH 8;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.1 x 10-3 g/L | pH 9;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.8 x 10-3 g/L | pH 10;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.4 x 10-4 g/L | Wai hoʻopaʻa ʻole pH 6.97;Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.8 x 10-7 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.5 x 10-5 mol/L | pH 1;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 6.9 x 10-6 mol/L | pH 2;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.2 x 10-6 mol/L | pH 3;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.9 x 10-7 mol/L | pH 4;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.9 x 10-7 mol/L | pH 5;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol/L | pH 6;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.9 x 10-7 mol/L | pH 7;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.2 x 10-7 mol/L | pH 8;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.5 x 10-6 mol/L | pH 9;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 8.0 x 10-6 mol/L | pH 10;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.9 x 10-7 mol/L | Wai hoʻopaʻa ʻole pH 6.97;Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 721.80 | ||
| pKa | 8.60±0.40 | ʻO ka Mahaʻawaʻawa loa: 25 °C | (1) ACD |
| pKa | 3.87±0.20 | ʻO ka mahana kumu loa: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
ʻO ka mānoanoa
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ka mānoanoa | 1.26±0.1 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 572.5±7.0 knm3/mol | Ka mahana: 20 °C;Paʻi: 760 Torr | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Waiwai | Waiwai | Kūlana | Puna |
| Nā Paʻa Hoʻololi Kūʻokoʻa | 15 | (1) ACD | |
| Waiwai | Waiwai | Kūlana | Puna |
| H Ka poe e ae | 12 | (1) ACD | |
| H Kokua | 2 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 14 | (1) ACD | |
| logP | 6.093±0.720 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 721.80 |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Hoʻonohonoho pili
| Waiwai | Waiwai | Kūlana | Puna |
| Wahi Polar | 137 A2 | (1) ACD | |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Loaʻa ka Spectra
1H NMR
13C NMR
| Code | ʻŌlelo Hazard | Puna |
| H335 | Hiki ke hoʻoulu i ka hanu | European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha maʻamau, European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha koʻikoʻi. |
| H319 | Hoʻopilikia koʻikoʻi ka maka | European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha maʻamau, European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha koʻikoʻi. |
| H315 | Hoʻopilikia i ka ʻili | European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha maʻamau, European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha koʻikoʻi. |
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