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

vokatra

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

Fampahafantarana fototra:


Product Detail

Tags vokatra

Toetra ara-batana

Toetra ara-batana fototra sarobidy toe-javatra
Lanja molekiola 769.96 -
Density (voavinavina) 1,25±0,1 g/cm3 Mafana: 20 °C;Press: 760 Torr
pKa (voavinavina) 9.16±0.20 Mafana asidra indrindra: 25 °C

Anarana sy famantarana hafa

SMILES Canonical 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
SMILES Isomerique
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)N2C3= C(N=C2)C(=O)N=C(NC(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) 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 Anarana hafa amin'ity akora ity
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)guanosine (ACI)

Spectra andrana

Spectra misy
1H NMR
13C NMR
-bahoaka

Properties vinavinaina

Properties misy
niteraka
simika
hakitroky
Lipinski
Structure Related

niteraka

NY FANANANA sarobidy toe-javatra Source
Bioconcentration Factor 1.38 x 105 pH 1;Mafana: 25 °C (1) ACD
Bioconcentration Factor 3.53 x 105 pH 2;Mafana: 25 °C (1) ACD
Bioconcentration Factor 4.18 x 105 pH 3;Mafana: 25 °C (1) ACD
Bioconcentration Factor 4.26 x 105 pH 4;Mafana: 25 °C (1) ACD
Bioconcentration Factor 4.26 x 105 pH 5;Mafana: 25 °C (1) ACD
Bioconcentration Factor 4.26 x 105 pH 6;Mafana: 25 °C (1) ACD
Bioconcentration Factor 4.21 x 105 pH 7;Mafana: 25 °C (1) ACD
Bioconcentration Factor 3.77 x 105 pH 8;Mafana: 25 °C (1) ACD
Bioconcentration Factor 1,86 x 105 pH 9;Mafana: 25 °C (1) ACD
Bioconcentration Factor 33800 pH 10;Mafana: 25 °C (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

simika

NY FANANANA sarobidy toe-javatra Source
Koc 1.21 x 105 pH 1;Mafana: 25 °C (1) ACD
Koc 3.08 x 105 pH 2;Mafana: 25 °C (1) ACD
Koc 3.65 x 105 pH 3;Mafana: 25 °C (1) ACD
Koc 3.72 x 105 pH 4;Mafana: 25 °C (1) ACD
Koc 3.73 x 105 pH 5;Mafana: 25 °C (1) ACD
Koc 3.72 x 105 pH 6;Mafana: 25 °C (1) ACD
Koc 3.68 x 105 pH 7;Mafana: 25 °C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Koc 3.30 x 105 pH 8;Mafana: 25 °C (1) ACD
Koc 1,62 x 105 pH 9;Mafana: 25 °C (1) ACD
Koc 29600 pH 10;Mafana: 25 °C (1) ACD
logD 7.22 pH 1;Mafana: 25 °C (1) ACD
logD 7.63 pH 2;Mafana: 25 °C (1) ACD
logD 7.70 pH 3;Mafana: 25 °C (1) ACD
logD 7.71 pH 4;Mafana: 25 °C (1) ACD
logD 7.71 pH 5;Mafana: 25 °C (1) ACD
logD 7.71 pH 6;Mafana: 25 °C (1) ACD
logD 7.70 pH 7;Mafana: 25 °C (1) ACD
logD 7.66 pH 8;Mafana: 25 °C (1) ACD
logD 7.35 pH 9;Mafana: 25 °C (1) ACD
logD 6.61 pH 10;Mafana: 25 °C (1) ACD
logP 7.710±0.709 Mafana: 25 °C (1) ACD
Faobe Intrinsic Solubility 2,7 x 10-5 g/L Mafana: 25 °C (1) ACD
Mass Solubility 8,5 x 10-5 g/L pH 1;Mafana: 25 °C (1) ACD
Mass Solubility 3,3 x 10-5 g/L pH 2;Mafana: 25 °C (1) ACD
Mass Solubility 2,8 x 10-5 g/L pH 3;Mafana: 25 °C (1) ACD
Mass Solubility 2,7 x 10-5 g/L pH 4;Mafana: 25 °C (1) ACD
Mass Solubility 2,7 x 10-5 g/L pH 5;Mafana: 25 °C (1) ACD
Mass Solubility 2,7 x 10-5 g/L pH 6;Mafana: 25 °C (1) ACD
Mass Solubility 2,8 x 10-5 g/L pH 7;Mafana: 25 °C (1) ACD
Mass Solubility 3,1 x 10-5 g/L pH 8;Mafana: 25 °C (1) ACD
Mass Solubility 6,2 x 10-5 g/L pH 9;Mafana: 25 °C (1) ACD
Mass Solubility 3,5 x 10-4 g/L pH 10;Mafana: 25 °C (1) ACD
Mass Solubility 2,8 x 10-5 g/L Rano tsy voaaro pH 7.00;Mafana: 25 °C (1) ACD
Molar intrinsic solubility 3,5 x 10-8 mol/L Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-7 mol/L pH 1;Mafana: 25 °C (1) ACD
Molar Solubility 4,3 x 10-8 mol/L pH 2;Mafana: 25 °C (1) ACD
Molar Solubility 3,6 x 10-8 mol/L pH 3;Mafana: 25 °C (1) ACD
Molar Solubility 3,5 x 10-8 mol/L pH 4;Mafana: 25 °C (1) ACD
Molar Solubility 3,5 x 10-8 mol/L pH 5;Mafana: 25 °C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Molar Solubility 3,5 x 10-8 mol/L pH 6;Mafana: 25 °C (1) ACD
Molar Solubility 3,6 x 10-8 mol/L pH 7;Mafana: 25 °C (1) ACD
Molar Solubility 4,0 x 10-8 mol/L pH 8;Mafana: 25 °C (1) ACD
Molar Solubility 8,1 x 10-8 mol/L pH 9;Mafana: 25 °C (1) ACD
Molar Solubility 4,5 x 10-7 mol/L pH 10;Mafana: 25 °C (1) ACD
Molar Solubility 3,6 x 10-8 mol/L Rano tsy voaaro pH 7.00;Mafana: 25 °C (1) ACD
Lanja molekiola 769.96    
pKa 9.16±0.20 Mafana asidra indrindra: 25 °C (1) ACD
pKa 1.73±0.10 Ny mari-pana fototra indrindra: 25 °C (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

hakitroky

NY FANANANA sarobidy toe-javatra Source
hakitroky 1,25±0,1 g/cm3 Mafana: 20 °C;Press: 760 Torr (1) ACD
Boky molar 615.5±7.0 cm3/mol Mafana: 20 °C;Press: 760 Torr (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

NY FANANANA sarobidy toe-javatra Source
Fatorana azo ahodina malalaka 14   (1) ACD
H Acceptors 13   (1) ACD
H Mpanome 3   (1) ACD
H Donor/Acceptor Sum 16   (1) ACD
logP 7.710±0.709 Mafana: 25 °C (1) ACD
Lanja molekiola 769.96    

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Structure Related

NY FANANANA sarobidy

toe-javatra

Source
Faritra ambonin'ny polar 155 A2 (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra vinavina

Spectra misy
1H NMR
13C NMR


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