C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)

umkhiqizo

C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)

Ulwazi Oluyisisekelo:


Imininingwane Yomkhiqizo

Omaka bomkhiqizo

Imininingwane Yezidakamizwa

Inombolo Yokubhalisa ye-CAS

150780-67-9

H303

Izici Zomzimba Eziyinhloko Inani Isimo
Isisindo samangqamuzana 869.94 -
pKa (Kubikezelwe) 9.16±0.20 Izinga Le-Acidic Elikhulu: 25 °C

Amanye Amagama Nezihlonzi

N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C6)N(C(C)C)C(C)C

I-Isomeric SMILES

C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[C@@ H](O1)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/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9) 38(61-62(59-25-13-24-)

46)52(29(3)4)30(5)6)36(60-43)26-58-45(31-14-11-10-12-15-31,32-16-20-34( 55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27 -30,36,38-39,43H,13, 25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/m1/s1

Ukhiye we-InchI

IRRDHRZUOZNWDJ-MLLDKZSOSA-N

1 Elinye Igama lale nto

I-Guanosine, 5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl) phosphoramidite] (9CI)

I-Spectra yokuhlola

I-Spectra iyatholakala
13 C NMR
I-Hetero NMR

Izakhiwo Ezibikezelwe

Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
Lipinski
Okuhlobene Nesakhiwo

I-Biological

Impahla Inani Isimo Umthombo
I-Bioconcentration Factor 183 i-pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 3890 pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 35500 i-pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.08 x 105 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.36 x 105 pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.39 x 105 pH 6; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.38 x 105 pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.24 x 105 pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 63600 pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 11900 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 220 i-pH 1; Izinga lokushisa: 25 °C (1) ACD
Koc 4680 pH 2; Izinga lokushisa: 25 °C (1) ACD
Koc 42600 i-pH 3; Izinga lokushisa: 25 °C (1) ACD
Koc 1.30 x 105 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
Koc 1.63 x 105 pH 5; Izinga lokushisa: 25 °C (1) ACD
Koc 1.67 x 105 pH 6; Izinga lokushisa: 25 °C (1) ACD
Koc 1.65 x 105 pH 7; Izinga lokushisa: 25 °C (1) ACD
Koc 1.49 x 105 pH 8; Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
Koc 76400 pH 9; Izinga lokushisa: 25 °C (1) ACD
Koc 14200 pH 10; Izinga lokushisa: 25 °C (1) ACD
logD 4.19 i-pH 1; Izinga lokushisa: 25 °C (1) ACD
logD 5.52 pH 2; Izinga lokushisa: 25 °C (1) ACD
logD 6.48 i-pH 3; Izinga lokushisa: 25 °C (1) ACD
logD 6.96 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
logD 7.06 pH 5; Izinga lokushisa: 25 °C (1) ACD
logD 7.07 pH 6; Izinga lokushisa: 25 °C (1) ACD
logD 7.07 pH 7; Izinga lokushisa: 25 °C (1) ACD
logD 7.02 pH 8; Izinga lokushisa: 25 °C (1) ACD
logD 6.73 pH 9; Izinga lokushisa: 25 °C (1) ACD
logD 6.00 pH 10; Izinga lokushisa: 25 °C (1) ACD
logP 7.072±0.721 Izinga lokushisa: 25 °C (1) ACD
I-Mass Intrinsic Solubility 1.2 x 10-4 g/L Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 0.096 g/L i-pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 4.3 x 10-3 g/L pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 4.8 x 10-4 g/L i-pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 1.6 x 10-4 g/L i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 1.2 x 10-4 g/L pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 1.2 x 10-4 g/L pH 6; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 1.2 x 10-4 g/L pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 1.4 x 10-4 g/L pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 2.7 x 10-4 g/L pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 1.4 x 10-3 g/L pH 10; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 1.2 x 10-4 g/L Amanzi Angavinjelwe pH 7.00; Izinga lokushisa: 25 °C (1) ACD
I-Molar Intrinsic Solubility 1.4 x 10-7 mol/L Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.1 x 10-4 mol/L i-pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 5.0 x 10-6 mol/L pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 5.5 x 10-7 mol/L i-pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.8 x 10-7 mol/L i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.4 x 10-7 mol/L pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.4 x 10-7 mol/L pH 6; Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
I-Molar Solubility 1.4 x 10-7 mol/L pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.6 x 10-7 mol/L pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 3.1 x 10-7 mol/L pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.6 x 10-6 mol/L pH 10; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.4 x 10-7 mol/L Amanzi Angavinjelwe pH 7.00; Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 869.94    
pKa 9.16±0.20 Izinga Le-Acidic Elikhulu: 25 °C (1) ACD
pKa 3.45±0.70 Izinga Lokushisa Eziyisisekelo: 25 °C (1) ACD

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

Lipinski

Impahla Inani Isimo Umthombo
Amabhondi Ashintshashintshayo Ngokukhululekile 19   (1) ACD
H Abamukelayo 16   (1) ACD
H Abanikeli 2   (1) ACD
H Isamba Somnikeli/Umamukeli 18   (1) ACD
logP 7.072±0.721 Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 869.94    

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

Okuhlobene Nesakhiwo

Impahla Inani Umthombo Wesimo
Indawo ye-Polar Surface 194 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
1 H NMR
13 C NMR

Izitatimende Zengozi ye-GHS

Ikhodi Isitatimende Sengozi Umthombo
H303 Ingase ibe yingozi uma igwinywe Uchwepheshe Ukhethiwe

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