C41H51N5O8Si Guanosine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O-[(1,1-dimethylethyl) dimethylsilyl]-N- (2-methyl-1-oxopropyl) - (9CI, ACI). )

samfur

C41H51N5O8Si Guanosine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O-[(1,1-dimethylethyl) dimethylsilyl]-N- (2-methyl-1-oxopropyl) - (9CI, ACI). )

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Cikakken Bayani

Tags samfurin

Kaddarorin jiki

Mabuɗin Abubuwan Jiki Daraja Sharadi
Nauyin Kwayoyin Halitta 769.96 -
Girma (An annabta) 1.25± 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)C3O[Si](C)(C)C(C)(C)(C)C
MURMUSHI
C (OC[C@H] 1O[C@H]([C@H] (O[Si](C 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/C41H51N5O8Si/c1-25(2)36(48)44-39-43-35-32(37(49)45-39)42-24-46(35)38-34(54-55(54-55(54-55) 8,9)40 (3,4)5)33 (47)31 (53-38)23-52-41 (2 6-13-11-10-12-14-26,27-15-19-29 (50-6)20-16-27)28-17-21-30(51-7)22-18-28/h10-22,24-25,31,33-34,38,47H,23H2,1 -9H3, (H2,43,44,45,
48,49)/t31-,33-,34-,38-/m1/s1
InChi Key
JMCNKJFOIJGYRG-CJEGOSRCSA-N
1 Wani Sunan Wannan Abu
5'-O-[Bis (4-methoxyphenyl) phenylmethyl] -2'-O-[(1,1-dimethylethyl) dimethylsilyl]-N- (2-methyl-1-oxopropyl) guanosine (ACI)

Spectra na Gwaji

Spectra akwai
1H NMR
13C NMR
Mass

Abubuwan Hasashen

Properties akwai
Halittu
Chemical
Yawan yawa
Lipinski
Tsarin Yanayi

Halittu

Dukiya Daraja Sharadi Source
Factor na Bioconcentration 1.38 x 105 pH da 1;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 3.53 x 105 pH da 2;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 4.18 x 105 pH da 3;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 4.26 x 105 pH da 4;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 4.26 x 105 pH da 5;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 4.26 x 105 pH da 6;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 4.21 x 105 pH da 7;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 3.77 x 105 pH da 8;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.86 x 105 pH da 9;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 33800 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 1.21 x 105 pH da 1;Zazzabi: 25 ° C (1) ACD
Koc 3.08 x 105 pH da 2;Zazzabi: 25 ° C (1) ACD
Koc 3.65 x 105 pH da 3;Zazzabi: 25 ° C (1) ACD
Koc 3.72 x 105 pH da 4;Zazzabi: 25 ° C (1) ACD
Koc 3.73 x 105 pH da 5;Zazzabi: 25 ° C (1) ACD
Koc 3.72 x 105 pH da 6;Zazzabi: 25 ° C (1) ACD
Koc 3.68 x 105 pH da 7;Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Koc 3.30 x 105 pH da 8;Zazzabi: 25 ° C (1) ACD
Koc 1.62 x 105 pH da 9;Zazzabi: 25 ° C (1) ACD
Koc 29600 pH 10;Zazzabi: 25 ° C (1) ACD
logD 7.22 pH da 1;Zazzabi: 25 ° C (1) ACD
logD 7.63 pH da 2;Zazzabi: 25 ° C (1) ACD
logD 7.70 pH da 3;Zazzabi: 25 ° C (1) ACD
logD 7.71 pH da 4;Zazzabi: 25 ° C (1) ACD
logD 7.71 pH da 5;Zazzabi: 25 ° C (1) ACD
logD 7.71 pH da 6;Zazzabi: 25 ° C (1) ACD
logD 7.70 pH da 7;Zazzabi: 25 ° C (1) ACD
logD 7.66 pH da 8;Zazzabi: 25 ° C (1) ACD
logD 7.35 pH da 9;Zazzabi: 25 ° C (1) ACD
logD 6.61 pH 10;Zazzabi: 25 ° C (1) ACD
logP 7.710± 0.709 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 2.7 x 10-5 g/L Zazzabi: 25 ° C (1) ACD
Mass Solubility 8.5 x 10-5 g/L pH da 1;Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.3 x 10-5 g/L pH da 2;Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.8 x 10-5 g/L pH da 3;Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.7 x 10-5 g/L pH da 4;Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.7 x 10-5 g/L pH da 5;Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.7 x 10-5 g/L pH da 6;Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.8 x 10-5 g/L pH da 7;Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 x 10-5 g/L pH da 8;Zazzabi: 25 ° C (1) ACD
Mass Solubility 6.2 x 10-5 g/L pH da 9;Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.5 x 10-4 g/L pH 10;Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.8 x 10-5 g/L Ruwan da ba a buguwa pH 7.00;Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 3.5 x 10-8 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.1 x 10-7 mol/L pH da 1;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.3 x 10-8 mol/L pH da 2;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.6 x 10-8 mol/L pH da 3;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.5 x 10-8 mol/L pH da 4;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.5 x 10-8 mol/L pH da 5;Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Solubility na Molar 3.5 x 10-8 mol/L pH da 6;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.6 x 10-8 mol/L pH da 7;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.0 x 10-8 mol/L pH da 8;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 8.1 x 10-8 mol/L pH da 9;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.5 x 10-7 mol/L pH 10;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.6 x 10-8 mol/L Ruwan da ba a buguwa pH 7.00;Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 769.96    
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 1.25± 0.1 g/cm3 Zazzabi: 20 ° C;Latsa: 760 Torr (1) ACD
Ƙarar Molar 615.5± 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 14   (1) ACD
H Masu karɓa 13   (1) ACD
H Masu Ba da taimako 3   (1) ACD
H Donor/Acceptor Sum 16   (1) ACD
logP 7.710± 0.709 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 769.96    

(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

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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