![C45H56N7O9P Guanosine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl- N- (2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C45H56N7O9P Guanosine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl- N- (2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] (ACI) Aworan Afihan](https://www.csnvchem.com/uploads/C45H56N7O9P.png)
C45H56N7O9P Guanosine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl- N- (2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite (ACI)
Nọmba iforukọsilẹ CAS
150780-67-9
H303
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 869.94 | - |
| pKa (Asọtẹlẹ) | 9.16 ± 0.20 | Pupọ Epo otutu: 25 °C |
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OC)COC(C=4C=CC=CC4)(C5=CC) =C(OC)C=C5)C6=CC=C(OC)C=C6)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](OC)[C@@ H](O1)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC) C=C4)(C5) = CC=C(OC)C=C5)C6=CC=CC=C6
InChi
InChi = 1S/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9) 38 (61-62 (59-25-13-24-)
46)52(29(3)4)30(5)6)36(60-43)26-58-45 55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27 -30,36,38-39,43H,13, 25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/m1/s1
InChi Key
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 Oruko miiran fun nkan yii
Guanosin, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-N-(2-methyl-1-oxopropyl)-, 3′- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI)
Spectra wa
13 C NMR
Hetero NMR
Awọn ohun-ini ti o wa
Ti ibi
Kemikali
Lipinski
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 183 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 3890 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 35500 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.08 x 105 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.36 x 105 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.39 x 105 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,38 x 105 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,24 x 105 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 63600 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | Ọdun 11900 | 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 | 220 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 4680 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 42600 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.30 x 105 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,63 x 105 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,67 x 105 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,65 x 105 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1,49 x 105 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 76400 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 14200 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.19 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.52 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.48 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.96 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.06 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.07 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.07 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.02 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.73 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.00 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logP | 7.072 ± 0.721 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 1,2 x 10-4 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.096 g/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.3 x 10-3 g/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,8 x 10-4 g/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,6 x 10-4 g/L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,2 x 10-4 g/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,2 x 10-4 g/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,2 x 10-4 g/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,4 x 10-4 g/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2,7 x 10-4 g/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,4 x 10-3 g/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,2 x 10-4 g/L | Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 1,4 x 10-7 mol / L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-4 mol/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.0 x 10-6 mol/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.5 x 10-7 mol/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,8 x 10-7 mol/L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-7 mol / L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-7 mol / L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 1,4 x 10-7 mol / L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-7 mol/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.1 x 10-7 mol/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-6 mol/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-7 mol / L | Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 869.94 | ||
| pKa | 9.16 ± 0.20 | 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 | 19 | (1) ACD | |
| H Awọn olugba | 16 | (1) ACD | |
| H Awọn oluranlọwọ | 2 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 18 | (1) ACD | |
| logP | 7.072 ± 0.721 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 869.94 |
(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 | 194 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
| Koodu | Gbólóhùn ewu | Orisun |
| H303 | Le jẹ ipalara ti o ba gbe mì | Amoye Curated |
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