C31H32N2O8 Uridine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O-methyl- (9C I, ACI)

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C31H32N2O8 Uridine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O-methyl- (9C I, ACI)

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Kaddarorin jiki

Mabuɗin Abubuwan Jiki Daraja Sharadi
Nauyin Kwayoyin Halitta 560.60 -
Girma (An annabta) 1.35± 0.1 g/cm3 Zazzabi: 20 ° C; Latsa: 760 Torr
pKa (An annabta) 9.39± 0.10 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

Canonical SMILES O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C (O) C2OC
Isomeric SMILES C (OC [C@H] 1O[C@H] ([C@H] (OC) [C@@H] 1O) N2C (= O) NC (= O) C = C2) (C3= CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChi
InChi=1S/C31H32N2O8/c1-37-23-13-9-21(10-14-23)31(20-7-5-4-6-8) -20,22-11-15-24(38-2)16-12-22)40-19-25-27(35)28(39-3)29(41-25)
33-18-17-26(34)32-30(33)36/h4-18,25,27-29,35H,19H2,1-3H3,(H,32,34,36)/t25-,27 -,28-,29-/m1/s1
InChi Key
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Wasu Sunaye na wannan Abu
5'-O-[Bis (4-methoxyphenyl) phenylmethyl] -2'-O-methyluridine (ACI); 5'-O- (4,4'-Dimethoxytril) -2'-O-methyluridine

Spectra na Gwaji

Spectra akwai
1H NMR
Mass

Kayayyakin Hasashen

Properties akwai
Halittu
Chemical
Yawan yawa
Lipinski
Tsarin Yanayi

Halittu

Dukiya Daraja Sharadi Source
Factor na Bioconcentration 1240 pH da 1; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1240 pH da 2; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1240 pH da 3; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1240 pH da 4; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1240 pH da 5; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1240 pH da 6; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1230 pH da 7; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1190 pH da 8; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 861 pH da 9; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 238 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 5690 pH da 1; Zazzabi: 25 ° C (1) ACD
Koc 5690 pH da 2; Zazzabi: 25 ° C (1) ACD
Koc 5690 pH da 3; Zazzabi: 25 ° C (1) ACD
Koc 5690 pH da 4; Zazzabi: 25 ° C (1) ACD
Koc 5690 pH da 5; Zazzabi: 25 ° C (1) ACD
Koc 5690 pH da 6; Zazzabi: 25 ° C (1) ACD
Koc 5670 pH da 7; Zazzabi: 25 ° C (1) ACD
Koc 5450 pH da 8; Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Koc 3960 pH da 9; Zazzabi: 25 ° C (1) ACD
Koc 1100 pH 10; Zazzabi: 25 ° C (1) ACD
logD 4.37 pH da 1; Zazzabi: 25 ° C (1) ACD
logD 4.37 pH da 2; Zazzabi: 25 ° C (1) ACD
logD 4.37 pH da 3; Zazzabi: 25 ° C (1) ACD
logD 4.37 pH da 4; Zazzabi: 25 ° C (1) ACD
logD 4.37 pH da 5; Zazzabi: 25 ° C (1) ACD
logD 4.37 pH da 6; Zazzabi: 25 ° C (1) ACD
logD 4.37 pH da 7; Zazzabi: 25 ° C (1) ACD
logD 4.35 pH da 8; Zazzabi: 25 ° C (1) ACD
logD 4.21 pH da 9; Zazzabi: 25 ° C (1) ACD
logD 3.66 pH 10; Zazzabi: 25 ° C (1) ACD
logP 4.372± 0.582 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 3.7 x 10-4 g/L Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.7 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 3.7 x 10-4 g/L pH da 3; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.7 x 10-4 g/L pH da 4; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.7 x 10-4 g/L pH da 5; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.7 x 10-4 g/L pH da 6; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.7 x 10-4 g/L pH da 7; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.8 x 10-4 g/L pH da 8; Zazzabi: 25 ° C (1) ACD
Mass Solubility 5.3 x 10-4 g/L pH da 9; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.9 x 10-3 g/L pH 10; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.7 x 10-4 g/L Ruwan da ba a buƙata ba pH 6.99; Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 6.6 x 10-7 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 6.6 x 10-7 mol/L pH da 1; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 6.6 x 10-7 mol/L pH da 2; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 6.6 x 10-7 mol/L pH da 3; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 6.6 x 10-7 mol/L pH da 4; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 6.6 x 10-7 mol/L pH da 5; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 6.6 x 10-7 mol/L pH da 6; Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Solubility na Molar 6.6 x 10-7 mol/L pH da 7; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 6.8 x 10-7 mol/L pH da 8; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 9.4 x 10-7 mol/L pH da 9; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.4 x 10-6 mol/L pH 10; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 6.6 x 10-7 mol/L Ruwan da ba a buƙata ba pH 6.99; Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 560.60    
pKa 9.39± 0.10 Mafi yawan zafin jiki: 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 412.9± 5.0 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 11   (1) ACD
H Masu karɓa 10   (1) ACD
H Masu Ba da taimako 2   (1) ACD
H Donor/Acceptor Sum 12   (1) ACD
logP 4.372± 0.582 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 560.60    

(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 116 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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