![C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI) Kiʻi Hōʻikeʻike](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine.jpg)
C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 548.56 | - |
| Lae hehee (Hoʻokolohua) | 118-120 °C | - |
| ʻAiʻa (Wanamua) | 1.38±0.1 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr |
| pKa (Wanamua) | 9.39±0.10 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
Canonical SMILES O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2F
ʻIsomeric SMILES C(OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3= CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38- 2)15-11-21)39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26- ,27-,28-/m1/s1
InChI Ki
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 inoa ʻē aʻe no kēia mea
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluorouridine (ACI)
Loaʻa nā waiwai
Māmā
Māmā
| Waiwai | Waiwai | Kūlana | Puna |
| Lae hehee | 118-120 °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 | 3580 | pH 1;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 3580 | pH 2;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 3580 | pH 3;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 3580 | pH 4;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 3580 | pH 5;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 3580 | pH 6;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 3570 | pH 7;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 3430 | pH 8;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 2500 | pH 9;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 689 | 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 | 12200 | pH 1;Mahana: 25 °C | (1) ACD |
| Koc | 12200 | pH 2;Mahana: 25 °C | (1) ACD |
| Koc | 12200 | pH 3;Mahana: 25 °C | (1) ACD |
| Koc | 12200 | pH 4;Mahana: 25 °C | (1) ACD |
| Koc | 12200 | pH 5;Mahana: 25 °C | (1) ACD |
| Koc | 12200 | pH 6;Mahana: 25 °C | (1) ACD |
| Koc | 12100 | pH 7;Mahana: 25 °C | (1) ACD |
| Koc | 11700 | pH 8;Mahana: 25 °C | (1) ACD |
| Koc | 8480 | pH 9;Mahana: 25 °C | (1) ACD |
| Koc | 2340 | pH 10;Mahana: 25 °C | (1) ACD |
| logD | 4.98 | pH 1;Mahana: 25 °C | (1) ACD |
| logD | 4.98 | pH 2;Mahana: 25 °C | (1) ACD |
| logD | 4.98 | pH 3;Mahana: 25 °C | (1) ACD |
| logD | 4.98 | pH 4;Mahana: 25 °C | (1) ACD |
| logD | 4.98 | pH 5;Mahana: 25 °C | (1) ACD |
| logD | 4.98 | pH 6;Mahana: 25 °C | (1) ACD |
| logD | 4.98 | pH 7;Mahana: 25 °C | (1) ACD |
| logD | 4.96 | pH 8;Mahana: 25 °C | (1) ACD |
| logD | 4.82 | pH 9;Mahana: 25 °C | (1) ACD |
| logD | 4.26 | pH 10;Mahana: 25 °C | (1) ACD |
| logP | 4.979±0.563 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 9.9 x 10-5 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 9.9 x 10-5 g/L | pH 1;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 9.9 x 10-5 g/L | pH 2;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 9.9 x 10-5 g/L | pH 3;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 9.9 x 10-5 g/L | pH 4;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 9.9 x 10-5 g/L | pH 5;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 9.9 x 10-5 g/L | pH 6;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 9.9 x 10-5 g/L | pH 7;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 9.9 x 10-5 g/L | pH 8;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.4 x 10-4 g/L | pH 9;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.0 x 10-4 g/L | pH 10;Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Ka hoʻoheheʻe nui | 9.9 x 10-5 g/L | Wai hoʻopaʻa ʻole pH 7.00;Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.8 x 10-7 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol/L | pH 1;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol/L | pH 2;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol/L | pH 3;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol/L | pH 4;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.8 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 | 1.8 x 10-7 mol/L | pH 7;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol/L | pH 8;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.5 x 10-7 mol/L | pH 9;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 9.2 x 10-7 mol/L | pH 10;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol/L | Wai hoʻopaʻa ʻole pH 7.00;Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 548.56 | ||
| pKa | 9.39±0.10 | ʻO ka Mahaʻawaʻawa 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 | 1.38±0.1 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 395.8±5.0 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 | 10 | (1) ACD | |
| H Ka poe e ae | 9 | (1) ACD | |
| H Kokua | 2 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 11 | (1) ACD | |
| logP | 4.979±0.563 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 548.56 |
(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 | 107 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
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