C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, I-N-bis(1-methyl ethyl)phosphoramidite] (ACI)

umkhiqizo

C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, I-N-bis(1-methyl ethyl)phosphoramidite] (ACI)

Ulwazi Oluyisisekelo:


Imininingwane Yomkhiqizo

Omaka bomkhiqizo

Imininingwane Yezidakamizwa

Inombolo Yokubhalisa ye-CAS

144089-97-4

Izici Zomzimba Eziyinhloko Inani Isimo
Isisindo samangqamuzana 857.91 -
pKa (Kubikezelwe) 9.16±0.20 Izinga Le-Acidic Elikhulu: 25 °C

Amanye Amagama Nezihlonzi

I-Canonical SMILES

N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C= NC=6C (=O)N=C(NC(=O)C(C)C)NC65)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](F)[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/C44H53FN7O8P/c1-27(2)40(53)49-43-48-39-37(41(54)50-43)47-26-51(39)42-36(45)38( 60-61(58-24-12-23-46)52(28(3)4)29(5) 6)35(59-42)25-57-44(30-13-10-9-11- 14-30,31-15-19-33(55-7)20-16-31)32-17-21-34(56-8)22-18-32/h9-11,13-22,26- 29,35-36,38,42H,12, 24-25H2,1-8H3,(H2,48,49,50,53,54)/t35-,36-,38-,42-,61?/m1 /s1

Ukhiye we-InchI

KJFUMXZZVYMQEU-AOCJBPQJSA-N

1 Elinye Igama lale nto

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

Izakhiwo Ezibikezelwe

Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
I-Lipinski
Okuhlobene Nesakhiwo

I-Biological

Impahla Inani Isimo Umthombo
I-Bioconcentration Factor 298 i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 6350 pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 57800 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.76 x 105 i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 2.21 x 105 pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 2.26 x 105 pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 2.24 x 105 pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 2.03 x 105 pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.04 x 105 pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 19300 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

Umthombo Wesimo Sendawo Yenani
I-Koc 312 pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Koc 6630 pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Koc 60400 pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Koc 1.84 x 105 pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Koc 2.31 x 105 pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Koc 2.37 x 105 pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Koc 2.35 x 105 pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Koc 2.12 x 105 pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Koc 1.08 x 105 pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Koc 20200 pH 10;Izinga lokushisa: 25 °C (1) ACD
logD 4.47 pH 1;Izinga lokushisa: 25 °C (1) ACD
logD 5.80 pH 2;Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
logD 6.76 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
logD 7.24 i-pH 4;Izinga lokushisa: 25 °C (1) ACD
logD 7.34 pH 5;Izinga lokushisa: 25 °C (1) ACD
logD 7.35 pH 6;Izinga lokushisa: 25 °C (1) ACD
logD 7.35 pH 7;Izinga lokushisa: 25 °C (1) ACD
logD 7.30 pH 8;Izinga lokushisa: 25 °C (1) ACD
logD 7.01 pH 9;Izinga lokushisa: 25 °C (1) ACD
logD 6.28 pH 10;Izinga lokushisa: 25 °C (1) ACD
logP 7.351±0.713 Izinga lokushisa: 25 °C (1) ACD
I-Mass Intrinsic Solubility 3.0 x 10-5 g/L Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 0.022 g/L i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 1.0 x 10-3 g/L pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 1.2 x 10-4 g/L i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.9 x 10-5 g/L i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.1 x 10-5 g/L pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.0 x 10-5 g/L pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.0 x 10-5 g/L pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.3 x 10-5 g/L pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 6.5 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 3.0 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 2.6 x 10-5 mol/L i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.2 x 10-6 mol/L pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.4 x 10-7 mol/L i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 4.5 x 10-8 mol/L i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 3.6 x 10-8 mol/L pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 3.5 x 10-8 mol/L pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 3.5 x 10-8 mol/L pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 3.9 x 10-8 mol/L pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 7.6 x 10-8 mol/L pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 4.1 x 10-7 mol/L pH 10;Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
I-Molar Solubility 3.5 x 10-8 mol/L Amanzi Angenabuffered pH 7.00;Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 857.91    
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)

Okuhlobene Nesakhiwo

Impahla Inani Umthombo Wesimo
Indawo ye-Polar Surface 184 A2 (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 18   (1) ACD
H Abamukelayo 15   (1) ACD
H Abaxhasi 2   (1) ACD
H Isamba Somnikeli/Umamukeli 17   (1) ACD
logP 7.351±0.713 Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 857.91    

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


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