![C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phospho amidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phospho amidite] (ACI) Siffar Hoton](https://www.csnvchem.com/uploads/C48H54N7O8P.png)
C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phospho amidite] (ACI)
Lambar Rijistar CAS
110782-31-5
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Mabuɗin Abubuwan Jiki | Daraja | Yanayi |
| Nauyin Kwayoyin Halitta | 887.96 | - |
| pKa (An annabta) | 7.87± 0.43 | Mafi yawan zafin jiki: 25 ° C |
MURMUSHI na Canonical
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OC)COC(C=5C=CC=CC5)(C6=CC=C) (OC)C=C6)C7=CC=C(OC)C=C7)N(C(C)C)C(C)C (C)
MURMUSHI
C(OC[C@H] 1[C@@H](OP(N(C)C)C(C)C)OCCC#N 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/C48H54N7O8P/c1-32(2)55(33(3)4)64(61-28-14-27-49)63-42-40(62-47(43(42)59-7)54- 31-52-41-44(50-30-51-45(41)54)53-46(5) 6)34-15-10-8-11-16-34)29-60-48 (35-17-12-9-13-18-35,36-19-23-38 (57-5)24-20-36)37-21-25-39(58-6)26-22-37/h8-13,15-26,30-33,40,4 2-43,47H,14,28-29H2,1-7H3,(H,50,51,53,56)/t40-,42-,43-,47-,64?/m1/s1
InChi Key
AZCGOTUYEPXHMJ-PSVHYZMASA-N
2 Wasu Sunaye na wannan Abu
Adenosine,Nbenzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3'- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI); 5'-O-(4,4'-dimetoxytrityl)-N6-benzoyl-2'-O-methyladenosine 3'- (2-cyanoethylN,N-diisopropylphosphoramite)
Spectra akwai
13 C NMR
Farashin NMR
Mass
Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi
| Dukiya | Daraja | Yanayi | Source |
| Factor na Bioconcentration | 4050 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.08 x 105 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2.10 x 105 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 60800 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Dukiya | Daraja | Yanayi | Source |
| Koc | 1830 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Koc | 48700 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Koc | 4.91 x 105 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.52 x 106 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.90 x 106 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.91 x 106 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.57 x 106 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Yanayi | Source |
| Koc | 5.78 x 105 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Koc | 95000 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Koc | 27500 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logD | 6.01 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.43 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| logD | 8.44 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| logD | 8.93 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| logD | 9.02 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| logD | 9.02 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| logD | 8.94 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| logD | 8.51 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.72 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.18 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logP | 9.038± 0.723 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 1.4 x 10-5 g/L | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.014 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.3 x 10-4 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.3 x 10-5 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.7 x 10-5 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.3 x 10-5 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.3 x 10-5 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.7 x 10-5 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 4.5 x 10-5 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 2.8 x 10-4 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 9.8 x 10-4 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.7 x 10-5 g/L | Ruwan da ba a buƙata ba pH 6.99; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 1.6 x 10-8 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.6 x 10-5 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.0 x 10-7 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.0 x 10-8 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.9 x 10-8 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.5 x 10-8 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Yanayi | Source |
| Solubility na Molar | 1.5 x 10-8 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.9 x 10-8 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 5.1 x 10-8 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.1 x 10-7 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-6 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.9 x 10-8 mol/L | Ruwan da ba a buƙata ba pH 6.99; Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 887.96 | ||
| pKa | 7.87± 0.43 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
| pKa | 3.45± 0.70 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Dukiya | Daraja | Yanayi | Source |
| Ƙimar Rarraba Kyauta | 19 | (1) ACD | |
| H Masu karɓa | 15 | (1) ACD | |
| H Masu Ba da taimako | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 16 | (1) ACD | |
| logP | 9.038± 0.723 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 887.96 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Dukiya | Daraja | Tushen yanayi |
| Wuri Mai Girma | 178 A2 | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1 H NMR
13 C NMR
| Lambar | Bayanin Hazard | Source |
| H335 | Zai iya haifar da haushin numfashi | Kwararre Cuted |
| Lambar | Bayanin Hazard | Source |
| H331 | Mai guba idan an shaka | Kwararre Cuted |
| H319 | Yana haifar da tsananin haushin ido | Kwararre Cuted |
| H315 | Yana haifar da haushin fata | Kwararre Cuted |
| H311 | Mai guba a lamba tare da fata | Kwararre Cuted |
| H301+H311+H331 | Mai guba idan an haɗiye, cikin hulɗa da fata ko na numfashi | Kwararre Cuted |
| H301 | Mai guba idan an hadiye shi | Kwararre Cuted |
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