![C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′- O- (2-methoxyethyl)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′- O- (2-methoxyethyl) - (9CI, ACI) Aworan ti a ṣe afihan](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine.jpg)
C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′- O- (2-methoxyethyl)- (9CI, ACI)
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 731.79 | - |
| Oju Iyọ (Ayẹwo) | 119-121 °C | - |
| iwuwo (Asọtẹlẹ) | 1,31 ± 0,1 g / cm3 | Iwọn otutu: 20 °C;Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 7,87 ± 0,43 | Pupọ Epo otutu: 25 °C |
SILES Canonical 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)C3OCCOC)C=7C=CC=CC7
ISOMERIC SMILES
C(OC[C@H]1O[C@H]([C@H](OCCOC)[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/C41H41N5O8/c1-49-22-23-52-36-35(47)33(54-40(36)46-26-44-34-37(42-25-43-38(34) 46)45-39 (48)27-10-6-4-7-11-27)24-53- 41(28-12-8-5-9-13-28,29-14-18-31( 50-2)19-15-29)30-16-20-32(51-3)21-17-30/h4-21,25-26,33,35-36,40,47H,22-24H2, 1-3H3, (H,42,43,45,48)/t33-,35-,36-,40-/m1/s1
InChi Key
KEVMXGNDTKPSMC-MUMPVVMASA-N
16 Awọn orukọ miiran fun nkan yii
N-Benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methoxyethyl) adenosine (ACI);17: PN: US20030211606 EWE: 19 ti a beere ọkọọkan;18: PN: US20040005569 OJU: 22 ti o ni ẹtọ;20: PN: US20040006030 EWE: 23 ti a beere ọkọọkan;20: PN: US20040014047 EWE: 21 ti a beere ọkọọkan;20: PN: US20040014049 EWE: 21 ti a beere ọkọọkan;21: PN: US20040005570 PAG
E: 20 ti a beere ọkọọkan;21: PN: US20040014048 EWE: 21 ti a ti beere ọkọọkan;21: PN: US20040014050 EWE: 20 ti a beere ọkọọkan;22: PN: US20040005565 EWE: 17- 22 ni ẹtọ ọkọọkan;22: PN: US20040014051 EWE: 23 ti a beere ọkọọkan;23: PN: US20040 014699 EWE: 20 ti a beere ọkọọkan;24: PN: US20040006029 OJU: 23 ti o ni ẹtọ;24: PN: WO03106645 EWE: 73 so lesese;5'-Dimethoxytrityl-2'-O- (2-Methoxyethyl) -N6-benzoyl adenosine;95: PN: US20040005707 OJU-iwe: 20 ti a beere ọkọọkan
| Awọn ohun-ini ti o wa |
| Gbona |
Gbona
| Ohun ini | Iye | Ipo | Orisun |
| Ojuami Iyo | 119-121 °C | (1) CAS | |
(1) Penjarla, Srishylam;Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
Spectra wa
1H NMR
13C NMR
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
Ti ibi
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 31700 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.08 x 105 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,43 x 105 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,48 x 105 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,48 x 105 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,45 x 105 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.19 x 105 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 43000 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 7050 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 2060 | 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 | 37400 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,28 x 105 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.69 x 105 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,74 x 105 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,74 x 105 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,71 x 105 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,40 x 105 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 50700 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 8320 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 2430 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.44 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.97 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.09 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.11 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.11 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.10 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.01 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.57 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.78 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.25 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logP | 7.109 ± 0.766 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 5.6 x 10-6 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.6 x 10-5 g/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 7.3 x 10-6 g/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.8 x 10-6 g/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.6 x 10-6 g/L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.6 x 10-6 g/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.7 x 10-6 g/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 7.0 x 10-6 g/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Ibi Solubility | 1,9 x 10-5 g/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,2 x 10-4 g/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.0 x 10-4 g/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 7.0 x 10-6 g/L | Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 7.6 x 10-9 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.6 x 10-8 mol/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.0 x 10-8 mol/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.9 x 10-9 mol/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.7 x 10-9 mol/L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.7 x 10-9 mol/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.8 x 10-9 mol/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 9.6 x 10-9 mol/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.6 x 10-8 mol/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-7 mol/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.5 x 10-7 mol/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 9.5 x 10-9 mol/L | Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 731.79 | ||
| 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 | 1,31 ± 0,1 g / cm3 | Iwọn otutu: 20 °C;Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 556,9 ± 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 | 15 | (1) ACD | |
| H Awọn olugba | 13 | (1) ACD | |
| H Awọn oluranlọwọ | 2 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 15 | (1) ACD | |
| Ohun ini | Iye | Ipo | Orisun |
| logP | 7.109 ± 0.766 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 731.79 |
(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 | 148 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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