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

umkhiqizo

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

Ulwazi Oluyisisekelo:


Imininingwane Yomkhiqizo

Omaka bomkhiqizo

Izici ezingokomzimba

Izici Zomzimba Eziyinhloko Inani Isimo
Isisindo samangqamuzana 769.96 -
Ukuminyana (Kubikezelwe) 1.25±0.1 g/cm3 Izinga lokushisa: 20 °C;Cindezela: 760 Torr
pKa (Kubikezelwe) 9.16±0.20 Izinga Le-Acidic Elikhulu: 25 °C

Amanye Amagama Nezihlonzi

I-Canonical AMAMOTHEKA 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
I-Isomeric SMILES
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
I-InChI
I-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
Ukhiye we-InchI
JMCNKJFOIJGYRG-CJEGOSRCSA-N
1 Elinye Igama lale nto
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)guanosine (ACI)

I-Spectra yokuhlola

I-Spectra iyatholakala
1H NMR
13C NMR
IMisa

Izakhiwo Ezibikezelwe

Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
Ukuminyana
I-Lipinski
Okuhlobene Nesakhiwo

I-Biological

Impahla Inani Isimo Umthombo
I-Bioconcentration Factor 1.38 x 105 i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 3.53 x 105 pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 4.18 x 105 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 4.26 x 105 i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 4.26 x 105 pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 4.26 x 105 pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 4.21 x 105 pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 3.77 x 105 pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.86 x 105 pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 33800 pH 10;Izinga lokushisa: 25 °C (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Amakhemikhali

Impahla Inani Isimo Umthombo
Koc 1.21 x 105 i-pH 1;Izinga lokushisa: 25 °C (1) ACD
Koc 3.08 x 105 pH 2;Izinga lokushisa: 25 °C (1) ACD
Koc 3.65 x 105 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
Koc 3.72 x 105 i-pH 4;Izinga lokushisa: 25 °C (1) ACD
Koc 3.73 x 105 pH 5;Izinga lokushisa: 25 °C (1) ACD
Koc 3.72 x 105 pH 6;Izinga lokushisa: 25 °C (1) ACD
Koc 3.68 x 105 pH 7;Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
Koc 3.30 x 105 pH 8;Izinga lokushisa: 25 °C (1) ACD
Koc 1.62 x 105 pH 9;Izinga lokushisa: 25 °C (1) ACD
Koc 29600 pH 10;Izinga lokushisa: 25 °C (1) ACD
logD 7.22 i-pH 1;Izinga lokushisa: 25 °C (1) ACD
logD 7.63 pH 2;Izinga lokushisa: 25 °C (1) ACD
logD 7.70 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
logD 7.71 i-pH 4;Izinga lokushisa: 25 °C (1) ACD
logD 7.71 pH 5;Izinga lokushisa: 25 °C (1) ACD
logD 7.71 pH 6;Izinga lokushisa: 25 °C (1) ACD
logD 7.70 pH 7;Izinga lokushisa: 25 °C (1) ACD
logD 7.66 pH 8;Izinga lokushisa: 25 °C (1) ACD
logD 7.35 pH 9;Izinga lokushisa: 25 °C (1) ACD
logD 6.61 pH 10;Izinga lokushisa: 25 °C (1) ACD
logP 7.710±0.709 Izinga lokushisa: 25 °C (1) ACD
I-Mass Intrinsic Solubility 2.7 x 10-5 g/L Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 8.5 x 10-5 g/L i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.3 x 10-5 g/L pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 2.8 x 10-5 g/L i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 2.7 x 10-5 g/L i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 2.7 x 10-5 g/L pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 2.7 x 10-5 g/L pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 2.8 x 10-5 g/L pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.1 x 10-5 g/L pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 6.2 x 10-5 g/L pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.5 x 10-4 g/L pH 10;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 2.8 x 10-5 g/L Amanzi Angenabuffered pH 7.00;Izinga lokushisa: 25 °C (1) ACD
I-Molar Intrinsic Solubility 3.5 x 10-8 mol/L Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.1 x 10-7 mol/L i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 4.3 x 10-8 mol/L pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 3.6 x 10-8 mol/L i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 3.5 x 10-8 mol/L i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 3.5 x 10-8 mol/L pH 5;Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
I-Molar Solubility 3.5 x 10-8 mol/L pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 3.6 x 10-8 mol/L pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 4.0 x 10-8 mol/L pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 8.1 x 10-8 mol/L pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 4.5 x 10-7 mol/L pH 10;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 3.6 x 10-8 mol/L Amanzi Angenabuffered pH 7.00;Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 769.96    
pKa 9.16±0.20 Izinga Le-Acidic Elikhulu: 25 °C (1) ACD
pKa 1.73±0.10 Izinga Lokushisa Eziyisisekelo: 25 °C (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Ukuminyana

Impahla Inani Isimo Umthombo
Ukuminyana 1.25±0.1 g/cm3 Izinga lokushisa: 20 °C;Cindezela: 760 Torr (1) ACD
Ivolumu ye-Molar 615.5±7.0 cm3/mol Izinga lokushisa: 20 °C;Cindezela: 760 Torr (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

I-Lipinski

Impahla Inani Isimo Umthombo
Amabhondi Ashintshashintshayo Ngokukhululekile 14   (1) ACD
H Abamukelayo 13   (1) ACD
H Abaxhasi 3   (1) ACD
H Isamba Somnikeli/Umamukeli 16   (1) ACD
logP 7.710±0.709 Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 769.96    

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Okuhlobene Nesakhiwo

Impahla Inani

Isimo

Umthombo
Indawo ye-Polar Surface 155 A2 (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

I-Spectra ebikezelwe

I-Spectra iyatholakala
1H NMR
13C NMR


  • Okwedlule:
  • Olandelayo:

  • Bhala umyalezo wakho lapha futhi usithumelele wona