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

imveliso

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

Ulwazi olusisiseko:


Iinkcukacha zeMveliso

Iithegi zeMveliso

Iimpawu ezibonakalayo

IiPropati zoMzimba eziPhambili Ixabiso Imeko
Ubunzima beMolekyuli 769.96 -
Ukuxinana (Kuqikelelwe) 1.25±0.1 g/cm3 Ubushushu: 20 °C;Cinezela: 760 Torr
pKa (Kuxelwe kwangaphambili) 9.16±0.20 Eyona Temp iAcidic Temp: 25 °C

Amanye Amagama kunye neZazi

Uncumo lweCanonical O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(COC(C=4C=CC=CC=CC4)(C5=CC=C(OC)C=C5)C6= CC=C(OC)C=C6)C(O)C3O[Si](C)(C)C(C)(C)C
Isomeric UNCUMA
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)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( 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
Isitshixo se-InchI
JMCNKJFOIJGYRG-CJEGOSRCSA-N
1 Elinye iGama lesi Sithombo
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)guanosine (ACI)

ISpectra yoMfuniselo

ISpectra ekhoyo
1H NMR
13C NMR
IMisa

Iipropati eziqikelelweyo

Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Ukuxinana
Lipinski
Ulwakhiwo oluNxulumeneyo

Ibhayoloji

Ipropati Ixabiso Imeko Umthombo
I-Bioconcentration Factor 1.38 x 105 pH 1;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 3.53 x 105 pH 2;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 4.18 x 105 pH 3;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 4.26 x 105 pH 4;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 4.26 x 105 pH 5;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 4.26 x 105 pH 6;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 4.21 x 105 pH 7;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 3.77 x 105 pH 8;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.86 x 105 pH 9;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 33800 pH 10;Ubushushu: 25 °C (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ikhemikhali

Ipropati Ixabiso Imeko Umthombo
Koc 1.21 x 105 pH 1;Ubushushu: 25 °C (1) ACD
Koc 3.08 x 105 pH 2;Ubushushu: 25 °C (1) ACD
Koc 3.65 x 105 pH 3;Ubushushu: 25 °C (1) ACD
Koc 3.72 x 105 pH 4;Ubushushu: 25 °C (1) ACD
Koc 3.73 x 105 pH 5;Ubushushu: 25 °C (1) ACD
Koc 3.72 x 105 pH 6;Ubushushu: 25 °C (1) ACD
Koc 3.68 x 105 pH 7;Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Koc 3.30 x 105 pH 8;Ubushushu: 25 °C (1) ACD
Koc 1.62 x 105 pH 9;Ubushushu: 25 °C (1) ACD
Koc 29600 pH 10;Ubushushu: 25 °C (1) ACD
logD 7.22 pH 1;Ubushushu: 25 °C (1) ACD
logD 7.63 pH 2;Ubushushu: 25 °C (1) ACD
logD 7.70 pH 3;Ubushushu: 25 °C (1) ACD
logD 7.71 pH 4;Ubushushu: 25 °C (1) ACD
logD 7.71 pH 5;Ubushushu: 25 °C (1) ACD
logD 7.71 pH 6;Ubushushu: 25 °C (1) ACD
logD 7.70 pH 7;Ubushushu: 25 °C (1) ACD
logD 7.66 pH 8;Ubushushu: 25 °C (1) ACD
logD 7.35 pH 9;Ubushushu: 25 °C (1) ACD
logD 6.61 pH 10;Ubushushu: 25 °C (1) ACD
logP 7.710±0.709 Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMass Intrinsic 2.7 x 10-5 g/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 8.5 x 10-5 g/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.3 x 10-5 g/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 2.8 x 10-5 g/L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 2.7 x 10-5 g/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 2.7 x 10-5 g/L pH 5;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 2.7 x 10-5 g/L pH 6;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 2.8 x 10-5 g/L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.1 x 10-5 g/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 6.2 x 10-5 g/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.5 x 10-4 g/L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 2.8 x 10-5 g/L Amanzi angaphazanyiswanga pH 7.00;Ubushushu: 25 °C (1) ACD
I-Molar Intrinsic Solubility 3.5 x 10-8 mol/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.1 x 10-7 mol/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 4.3 x 10-8 mol/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 3.6 x 10-8 mol/L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 3.5 x 10-8 mol/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 3.5 x 10-8 mol/L pH 5;Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Ukunyibilika kweMolar 3.5 x 10-8 mol/L pH 6;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 3.6 x 10-8 mol/L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 4.0 x 10-8 mol/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 8.1 x 10-8 mol/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 4.5 x 10-7 mol / L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 3.6 x 10-8 mol/L Amanzi angaphazanyiswanga pH 7.00;Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 769.96    
pKa 9.16±0.20 Eyona Temp iAcidic Temp: 25 °C (1) ACD
pKa 1.73±0.10 Eyona Tempile iSiseko: 25 °C (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ukuxinana

Ipropati Ixabiso Imeko Umthombo
Ukuxinana 1.25±0.1 g/cm3 Ubushushu: 20 °C;Cinezela: 760 Torr (1) ACD
Umthamo weMolar 615.5±7.0 cm3/mol Ubushushu: 20 °C;Cinezela: 760 Torr (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ipropati Ixabiso Imeko Umthombo
Iibhondi eziGuquguqukayo ngokukhululekileyo 14   (1) ACD
H Abamkeli 13   (1) ACD
H Abaxhasi 3   (1) ACD
H Umnikeli/uMamkeli Isambuku 16   (1) ACD
logP 7.710±0.709 Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 769.96    

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ulwakhiwo oluNxulumeneyo

Ipropati Ixabiso

Imeko

Umthombo
Indawo yePolar Surface 155 A2 (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

ISpectra eqikelelweyo

ISpectra ekhoyo
1H NMR
13C NMR


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