C36H39N5O8 Guanosin, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O-methyl- N- (2-methyl-1-oxopropyl) - (9CI, ACI)

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C36H39N5O8 Guanosin, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O-methyl- N- (2-methyl-1-oxopropyl) - (9CI, ACI)

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Tags samfurin

Kaddarorin jiki

Mabuɗin Abubuwan Jiki Daraja Sharadi
Nauyin Kwayoyin Halitta 669.72 -
Girma (An annabta) 1.35± 0.1 g/cm3 Zazzabi: 20 ° C; Latsa: 760 Torr
pKa (An annabta) 9.16 ± 0.20 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

Canonical SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6= CC=C(OC)C=C6)C(O)C3OC
MURMUSHI
C (OC[C@H] 1O[C@H]([C@H] (OC)[C@@H] 1O) N2C3=C C(C)C=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC
= CC=C6
InChi
InChi=1S/C36H39N5O8/c1-21(2)32(43)39-35-38-31-28(33(44)40-35)37-20-41(31)34-30(47-5) 29 (42)27 (49-34)19-48-36 (22-9-7-6-8-10-2 2,23-11-15-25 (45-3)16-12-23)24 -13-17-26(46-4)18-14-24/h6-18,20-21,27,29-30,34,42H,19H2,1-5H3,(H2,38,39,40, 43,44)/t27-,29-,30-,34
-/m1/s1
InChi Key
ISQLJOGRNUQHJX-WIFIACMTSA-N
1 Wani Sunan Wannan Abu
5'-O-[Bis (4-methoxyphenyl) phenylmethyl] -2'-O-methyl-N- (2-methyl-1-oxopropyl) guanosine (ACI)

Kayayyakin Hasashen

Properties akwai
Halittu
Chemical
Yawan yawa
Lipinski
Tsarin Yanayi

Halittu

Dukiya Daraja Sharadi Source
Factor na Bioconcentration 797 pH da 1; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 2030 pH da 2; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 2400 pH da 3; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 2450 pH da 4; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 2450 pH da 5; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 2450 pH da 6; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 2420 pH da 7; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 2170 pH da 8; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1070 pH da 9; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 195 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 3020 pH da 1; Zazzabi: 25 ° C (1) ACD
Koc 7680 pH da 2; Zazzabi: 25 ° C (1) ACD
Koc 9100 pH da 3; Zazzabi: 25 ° C (1) ACD
Koc 9270 pH da 4; Zazzabi: 25 ° C (1) ACD
Koc 9290 pH da 5; Zazzabi: 25 ° C (1) ACD
Koc 9280 pH da 6; Zazzabi: 25 ° C (1) ACD
Koc 9170 pH da 7; Zazzabi: 25 ° C (1) ACD
Koc 8220 pH da 8; Zazzabi: 25 ° C (1) ACD
Koc 4050 pH da 9; Zazzabi: 25 ° C (1) ACD
Koc 737 pH 10; Zazzabi: 25 ° C (1) ACD
logD 4.27 pH da 1; Zazzabi: 25 ° C (1) ACD
logD 4.68 pH da 2; Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
logD 4.75 pH da 3; Zazzabi: 25 ° C (1) ACD
logD 4.76 pH da 4; Zazzabi: 25 ° C (1) ACD
logD 4.76 pH da 5; Zazzabi: 25 ° C (1) ACD
logD 4.76 pH da 6; Zazzabi: 25 ° C (1) ACD
logD 4.76 pH da 7; Zazzabi: 25 ° C (1) ACD
logD 4.71 pH da 8; Zazzabi: 25 ° C (1) ACD
logD 4.40 pH da 9; Zazzabi: 25 ° C (1) ACD
logD 3.66 pH 10; Zazzabi: 25 ° C (1) ACD
logP 4.763± 0.722 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 3.1 x 10-4 g/L Zazzabi: 25 ° C (1) ACD
Mass Solubility 9.4 x 10-4 g/L pH da 1; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.7 x 10-4 g/L pH da 2; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 x 10-4 g/L pH da 3; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 x 10-4 g/L pH da 4; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 x 10-4 g/L pH da 5; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 x 10-4 g/L pH da 6; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 x 10-4 g/L pH da 7; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.5 x 10-4 g/L pH da 8; Zazzabi: 25 ° C (1) ACD
Mass Solubility 7.4 x 10-4 g/L pH da 9; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.9 x 10-3 g/L pH 10; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 x 10-4 g/L Ruwan da ba a buƙata ba pH 6.99; Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 4.6 x 10-7 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.4 x 10-6 mol/L pH da 1; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 5.5 x 10-7 mol/L pH da 2; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.7 x 10-7 mol/L pH da 3; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.6 x 10-7 mol/L pH da 4; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.6 x 10-7 mol/L pH da 5; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.6 x 10-7 mol/L pH da 6; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.6 x 10-7 mol/L pH da 7; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 5.2 x 10-7 mol/L pH da 8; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.1 x 10-6 mol/L pH da 9; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 5.8 x 10-6 mol/L pH 10; Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Solubility na Molar 4.6 x 10-7 mol/L Ruwan da ba a buƙata ba pH 6.99; Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 669.72    
pKa 9.16 ± 0.20 Mafi yawan zafin jiki: 25 ° C (1) ACD
pKa 1.73± 0.10 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)

Yawan yawa

Dukiya Daraja Sharadi Source
Yawan yawa 1.35± 0.1 g/cm3 Zazzabi: 20 ° C; Latsa: 760 Torr (1) ACD
Ƙarar Molar 494.4± 7.0 cm3/mol Zazzabi: 20 ° C; Latsa: 760 Torr (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 12   (1) ACD
H Masu karɓa 13   (1) ACD
H Masu Ba da taimako 3   (1) ACD
H Donor/Acceptor Sum 16   (1) ACD
logP 4.763± 0.722 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 669.72    

(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

Sharadi

Source
Wuri Mai Girma 155 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
1H NMR
13C NMR


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