![C44H49N5O7Si Adenosine, N-benzoyl-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)
![C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′- O-[(1,1-dimethylethyl) dimethylsilyl]- (9CI, ACI) Aworan ti a ṣe afihan](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine.jpg)
C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′- O-[(1,1-dimethylethyl) dimethylsilyl]- (9CI, ACI)
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 787.98 | - |
| iwuwo (Asọtẹlẹ) | 1,23 ± 0,1 g / cm3 | Iwọn otutu: 20 °C;Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 7,87 ± 0,43 | Pupọ Epo otutu: 25 °C |
Ẹ̀RẸ̀ KẸ̀LẸ̀
O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C (O)C3O[Si](C)(C)C(C)(C)C)C=7C=CC= CC7
ISOMERIC SMILES
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)N2C= 3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C= C6)C7=CC=CC=C7
InChi
InChI=1S/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-37(50)35(55-42(38)49-28-47-36-39(45-27-) 46-40(36)49)48-41(51)29-14-10-8-11-15-2 9)26-54-44(30-16-12-9-13-17-30,31 -18-22-33 (52-4)23-19-31)32-20-24-34(53-5)25-21-32/h8-25,27-28,35,37-38,42 ,50H,26H2,1-7H3,(H,
45,46,48,51)/t35-,37-,38-,42-/m1/s1
InChi Key
DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Awọn orukọ miiran fun nkan yii
N-Benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] adenosine (ACI);N6-Benzoyl-5′-O- (4,4′- dimethoxytril)-2′-O-(tert-butyldimethylsilyl) adenosine
Spectra wa
1H NMR
Hetero NMR
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
Ti ibi
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 5.41 x 105 | 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 | 2.01 x 106 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 6,87 x 106 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 9.08 x 106 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 9.38 x 106 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 9.39 x 106 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 9.19 x 106 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.53 x 106 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 2.73 x 106 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 4,48 x 105 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,31 x 105 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logD | 9.62 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| logD | 10.15 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| logD | 10.27 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| logD | 10.29 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| logD | 10.29 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| logD | 10.28 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| logD | 10.19 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| logD | 9.75 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.97 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.43 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logP | 10.291 ± 0.708 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 1,1 x 10-6 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,8 x 10-6 g/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,4 x 10-6 g/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,1 x 10-6 g/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1.0 x 10-6 g/L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1.0 x 10-6 g/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1.0 x 10-6 g/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,3 x 10-6 g/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.5 x 10-6 g/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.2 x 10-5 g/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 7.6 x 10-5 g/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,3 x 10-6 g/L | Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 1,4 x 10-9 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 6.1 x 10-9 mol/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,8 x 10-9 mol/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-9 mol/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-9 mol/L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-9 mol/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 1.3 x 10-9 mol/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-9 mol/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.5 x 10-9 mol/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.8 x 10-8 mol/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 9.6 x 10-8 mol/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-9 mol/L | Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 787.98 | ||
| pKa | 7,87 ± 0,43 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 1.39 ± 0.10 | Pupọ Ipilẹ 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 | 1,23 ± 0,1 g / cm3 | Iwọn otutu: 20 °C;Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 639,5 ± 7,0 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 | 14 | (1) ACD | |
| H Awọn olugba | 12 | (1) ACD | |
| H Awọn oluranlọwọ | 2 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 14 | (1) ACD | |
| logP | 10.291 ± 0.708 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 787.98 |
(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 | 139 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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