![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) Aworan ti a ṣe afihan](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)
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 660.83 | - |
| iwuwo (Asọtẹlẹ) | 1,24 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 9.39 ± 0.10 | Pupọ Epo otutu: 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
ISOMERIC SMILES
C (OC[C@H] 1O[C@H]([C@H](O[Si](C
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)/t29-32,31-s
InChi Key
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Awọn orukọ miiran fun nkan yii
5′-O-[Bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] uridine (ACI); 2'-O-tert-Butyldimethylsilyl-5'-O- (4,4'- dimethoxytril) uridine
Spectra wa
1H NMR
13C NMR
Hetero NMR
Ibi
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
Ti ibi
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 2.21 x 105 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2.21 x 105 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2.21 x 105 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2.21 x 105 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2.21 x 105 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2.21 x 105 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2.20 x 105 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2.12 x 105 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,54 x 105 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 42500 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemikali
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 2.33 x 105 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 2.33 x 105 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 2.33 x 105 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 2.33 x 105 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 2.33 x 105 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 2.33 x 105 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 2.32 x 105 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 2.23 x 105 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,62 x 105 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 44800 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.33 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.33 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.33 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.33 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.33 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.33 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.33 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.32 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.18 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.62 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 7.334 ± 0.643 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 3.5 x 10-5 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.5 x 10-5 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.5 x 10-5 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.5 x 10-5 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.5 x 10-5 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.5 x 10-5 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.5 x 10-5 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.5 x 10-5 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.6 x 10-5 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.0 x 10-5 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,9 x 10-4 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.5 x 10-5 g/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 5.3 x 10-8 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.3 x 10-8 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.3 x 10-8 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.3 x 10-8 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.3 x 10-8 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 5.3 x 10-8 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.3 x 10-8 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.3 x 10-8 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.5 x 10-8 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.6 x 10-8 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2,8 x 10-7 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.3 x 10-8 mol/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 660.83 | ||
| pKa | 9.39 ± 0.10 | Pupọ Epo otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
iwuwo
| Ohun ini | Iye | Ipo | Orisun |
| iwuwo | 1,24 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 528,8 ± 5,0 cm3 / mol | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 13 | (1) ACD | |
| H Awọn olugba | 10 | (1) ACD | |
| H Awọn oluranlọwọ | 2 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 12 | (1) ACD | |
| logP | 7.334 ± 0.643 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 660.83 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Pola dada Area | 116 A2 | (1) ACD | |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1H NMR
13C NMR
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