![C50H58N7O9P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′ – O- (2-methoxyethyl) –, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′ – O- (2-methoxyethyl) –, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) ) phosphoramite] (ACI) Aworan ti a ṣe afihan](https://www.csnvchem.com/uploads/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′ – O- (2-methoxyethyl) –, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] (ACI)
Nọmba iforukọsilẹ CAS
251647-53-7
H302
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 932.01 | - |
| pKa (Asọtẹlẹ) | 7,87 ± 0,43 | Pupọ Epo otutu: 25 °C |
Ẹ̀RẸ̀ KẸ̀LẸ̀
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OCCOC)COC(C=5C=CC=CC5)(C6=CC=C) (OC)C=C6)C7=CC=C(OC) C=C7)N(C(C)C)C(C)C
ISOMERIC SMILES
C(OC[C@H] 1[C@@H] (OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)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/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-9-) 13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41(61-7)26-22-39)65-49(45(44)62-30-29-59-5)56-33-54-43 -46 (52-32-53-47 (43)56)55-48 (58)36-15-10-8-11-16-36/h8-13,15-26, 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-,44-,45-,49-,67?/m1 /s1
InChi Key
VBPYBQBHLYRLHG-HDMAWCRFSA-N
16 Awọn orukọ miiran fun nkan yii
Adenosine,Nbenzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O(2-methoxyethyl) -, 3′- [2-cyanoethyl bis (1-methylethyl)
phosphoramite] (9CI); 16: PN: US20030211606 EWE: 19 ti a beere ọkọọkan; 16: PN: US20030212017 EWE: 20 ti a beere ọkọọkan; 17: PN: US20040005569 OJU: 22 ti o ni ẹtọ; 19: PN: US20040006030 EWE: 23 ti a beere ọkọọkan; 19: PN: US20040014047
EWE: 21 so ọkọọkan; 19: PN: US20040014049 EWE: 21 ti a beere ọkọọkan; 20: PN: US20040005570 EWE: 20 beere
ọkọọkan; 20: PN: US20040014048 EWE: 21 ti a beere ọkọọkan; 20: PN: US20040014050 EWE: 20 ti a beere ọkọọkan; 21: PN: U
S20040005565 PAGE: 17- 22 ti a beere ọkọọkan; 21: PN: US20040014051 EWE: 23 ti a beere ọkọọkan; 22: PN: US20040014699 EWE: 20 ti a beere ọkọọkan; 23: PN: US20040006029 EWE: 23 ti a beere ọkọọkan; 23: PN: WO03106645 EWE: 73 so lesese; 94: P N: US20040005707 OJU-iwe: 20 ti a beere fun ọkọọkan
Spectra wa
1 H NMR
13 C NMR
Hetero NMR
Awọn ohun-ini ti o wa
Ti ibi
Kemikali
Lipinski
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 2680 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 71500 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 7.21 x 105 | 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 | 8.48 x 105 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.39 x 105 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 40300 | 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)
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 1360 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 36300 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 3.66 x 105 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.13 x 106 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 1,42 x 106 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,42 x 106 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.17 x 106 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 4.30 x 105 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 70800 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | Ọdun 20500 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.77 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.20 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.20 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.69 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.79 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.79 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.71 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.27 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.49 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.95 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 8.803 ± 0.766 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 5.4 x 10-5 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.051 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,9 x 10-3 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,9 x 10-4 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 6.0 x 10-5 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,8 x 10-5 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,8 x 10-5 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.8 x 10-5 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,6 x 10-4 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 9.3 x 10-4 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.6 x 10-3 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.7 x 10-5 g/L | Omi ti a ko fi silẹ pH 6.97; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 5.8 x 10-8 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.5 x 10-5 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.0 x 10-6 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 2.0 x 10-7 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 6.4 x 10-8 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.1 x 10-8 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.1 x 10-8 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 6.2 x 10-8 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,7 x 10-7 mol / L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.0 x 10-6 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.9 x 10-6 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 6.1 x 10-8 mol/L | Omi ti a ko fi silẹ pH 6.97; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 932.01 | ||
| pKa | 7,87 ± 0,43 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 3,45 ± 0,70 | 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)
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 22 | (1) ACD | |
| H Awọn olugba | 16 | (1) ACD | |
| H Awọn oluranlọwọ | 1 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 17 | (1) ACD | |
| logP | 8.803 ± 0.766 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 932.01 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Orisun ipo |
| Pola dada Area | 187 A2 | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1 H NMR
13 C NMR
| Orisun Gbólóhùn Ewu koodu | |
| H302 Ipalara ti o ba gbe | Ile-iṣẹ Kemikali ti Yuroopu (ECHA) Isọdi& Aami aami Oja - Isọdi iwifunni ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali Yuroopu (ECHA) Isọsọ-sọtọ&Oja Ifipamọ - Isọdi ti iwifunni ati isamisi - awọn iwifunni to ṣe pataki julọ |
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