![118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI) Kiʻi Hōʻikeʻike](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine.jpg)
118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 660.83 | - |
| ʻAiʻa (Wanamua) | 1.24±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)C2O[Si](C)(C)C(C)(C)C
NĀ ʻAʻO ʻIsomeric
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[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/C36H44N2O8Si/c1-35(2,3)47(6,7)46-32-31(40)29(45-33(32)38-22-21-30(39)37-34( 38)41)23-44-36(24-11-9-8-10-12-24,25-13- 17-27(42-4)18-14-25)26-15-19-28( 43-5)20-16-26/h8-22,29,31-33,40H,23H2,1-7H3,(H,37,39,41)/t29-,31-,32-,33-/ m1/s1
InChI Ki
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Nā inoa ʻē aʻe no kēia mea
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]uridine (ACI);2′-O-tert-Butyldimethylsilyl-5′-O-(4,4′- dimethoxytriyl)uridine
Loaʻa ka Spectra
1H NMR
13C NMR
Hetero NMR
Mass
| Loaʻa nā waiwai |
| olaola |
| Kemika |
| ʻO ka mānoanoa |
| Lipinski |
| Hoʻonohonoho pili |
olaola
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 2.21 x 105 | pH 1;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 2.21 x 105 | pH 2;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 2.21 x 105 | pH 3;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 2.21 x 105 | pH 4;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 2.21 x 105 | pH 5;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 2.21 x 105 | pH 6;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 2.20 x 105 | pH 7;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 2.12 x 105 | pH 8;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.54 x 105 | pH 9;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 42500 | 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 | 2.33 x 105 | pH 1;Mahana: 25 °C | (1) ACD |
| Koc | 2.33 x 105 | pH 2;Mahana: 25 °C | (1) ACD |
| Koc | 2.33 x 105 | pH 3;Mahana: 25 °C | (1) ACD |
| Koc | 2.33 x 105 | pH 4;Mahana: 25 °C | (1) ACD |
| Koc | 2.33 x 105 | pH 5;Mahana: 25 °C | (1) ACD |
| Koc | 2.33 x 105 | pH 6;Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 2.32 x 105 | pH 7;Mahana: 25 °C | (1) ACD |
| Koc | 2.23 x 105 | pH 8;Mahana: 25 °C | (1) ACD |
| Koc | 1.62 x 105 | pH 9;Mahana: 25 °C | (1) ACD |
| Koc | 44800 | pH 10;Mahana: 25 °C | (1) ACD |
| logD | 7.33 | pH 1;Mahana: 25 °C | (1) ACD |
| logD | 7.33 | pH 2;Mahana: 25 °C | (1) ACD |
| logD | 7.33 | pH 3;Mahana: 25 °C | (1) ACD |
| logD | 7.33 | pH 4;Mahana: 25 °C | (1) ACD |
| logD | 7.33 | pH 5;Mahana: 25 °C | (1) ACD |
| logD | 7.33 | pH 6;Mahana: 25 °C | (1) ACD |
| logD | 7.33 | pH 7;Mahana: 25 °C | (1) ACD |
| logD | 7.32 | pH 8;Mahana: 25 °C | (1) ACD |
| logD | 7.18 | pH 9;Mahana: 25 °C | (1) ACD |
| logD | 6.62 | pH 10;Mahana: 25 °C | (1) ACD |
| logP | 7.334±0.643 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 3.5 x 10-5 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.5 x 10-5 g/L | pH 1;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.5 x 10-5 g/L | pH 2;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.5 x 10-5 g/L | pH 3;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.5 x 10-5 g/L | pH 4;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.5 x 10-5 g/L | pH 5;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.5 x 10-5 g/L | pH 6;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.5 x 10-5 g/L | pH 7;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.6 x 10-5 g/L | pH 8;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.0 x 10-5 g/L | pH 9;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.9 x 10-4 g/L | pH 10;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.5 x 10-5 g/L | Wai hoʻopaʻa ʻole pH 7.00;Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 5.3 x 10-8 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 5.3 x 10-8 mol/L | pH 1;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 5.3 x 10-8 mol/L | pH 2;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 5.3 x 10-8 mol/L | pH 3;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 5.3 x 10-8 mol/L | pH 4;Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Molar Solubility | 5.3 x 10-8 mol/L | pH 5;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 5.3 x 10-8 mol/L | pH 6;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 5.3 x 10-8 mol/L | pH 7;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 5.5 x 10-8 mol/L | pH 8;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 7.6 x 10-8 mol/L | pH 9;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.8 x 10-7 mol/L | pH 10;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 5.3 x 10-8 mol/L | Wai hoʻopaʻa ʻole pH 7.00;Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 660.83 | ||
| 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 | 1.24±0.1 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 528.8±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 | 13 | (1) ACD | |
| H Ka poe e ae | 10 | (1) ACD | |
| H Kokua | 2 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 12 | (1) ACD | |
| logP | 7.334±0.643 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 660.83 |
(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 | 116 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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