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C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phospho amidite] (ACI)

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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
  • C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phospho amidite] (ACI)

C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phospho amidite] (ACI)

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Cikakken Bayani

Tags samfurin

Bayanin Abu

Lambar Rijistar CAS

110782-31-5

H335, H331, H319, H315, H311, H301+H311+H331, H301

Mabuɗin Abubuwan Jiki Daraja Sharadi
Nauyin Kwayoyin Halitta 887.96 -
pKa (An annabta) 7.87± 0.43 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

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 na Gwaji

Spectra akwai
13 C NMR
Farashin NMR
Mass

Kayayyakin Hasashen

Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi

Halittu

Dukiya Daraja Sharadi 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)

Chemical

Dukiya Daraja Sharadi 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 Sharadi 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 Sharadi 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)

Lipinski

Dukiya Daraja Sharadi 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)

Tsarin Yanayi

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 da aka annabta

Spectra akwai
1 H NMR
13 C NMR

Bayanin Hazard na GHS

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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