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

mankhwala

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

Zambiri Zoyambira:


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Zolemba Zamalonda

Tsatanetsatane wa Mankhwala

Nambala ya Registry ya CAS

144089-97-4

Zofunika Zathupi Mtengo Mkhalidwe
Kulemera kwa Maselo 857.91 -
pKa (Zonenedweratu) 9.16±0.20 Kutentha Kwambiri kwa Acid: 25 ° C

Mayina Ena ndi Zizindikiritso

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

Isomeric AMAmwetulira

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

InChi

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

InChi Key

KJFUMXZZVYMQEU-AOCJBPQJSA-N

1 Dzina Lina la chinthu ichi

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)

Zonenedweratu Katundu

Katundu zilipo
Zachilengedwe
Chemical
Lipinski
Zogwirizana ndi Kapangidwe

Zachilengedwe

Katundu Mtengo Mkhalidwe Gwero
Bioconcentration Factor 298 pH 1; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 6350 pH 2; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 57800 pH 3; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.76 x 105 pH 4; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 2.21 x 105 pH 5; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 2.26 x 105 pH 6; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 2.24x105 pH 7; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 2.03 x 105 pH 8; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.04x105 pH 9; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 19300 pH 10; Kutentha: 25 ° C (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

Katundu Wamtengo Woyambira Gwero
Koc 312 pH 1; Kutentha: 25 °C (1) ACD
Koc 6630 pH 2; Kutentha: 25 °C (1) ACD
Koc 60400 pH 3; Kutentha: 25 °C (1) ACD
Koc 1.84 x 105 pH 4; Kutentha: 25 °C (1) ACD
Koc 2.31 x 105 pH 5; Kutentha: 25 °C (1) ACD
Koc 2.37 x 105 pH 6; Kutentha: 25 °C (1) ACD
Koc 2.35 x 105 pH 7; Kutentha: 25 °C (1) ACD
Koc 2.12 x 105 pH 8; Kutentha: 25 °C (1) ACD
Koc 1.08 x 105 pH 9; Kutentha: 25 °C (1) ACD
Koc 20200 pH 10; Kutentha: 25 °C (1) ACD
logD 4.47 pH 1; Kutentha: 25 °C (1) ACD
logD 5.80 pH 2; Kutentha: 25 °C (1) ACD

 

Katundu Mtengo Mkhalidwe Gwero
logD 6.76 pH 3; Kutentha: 25 ° C (1) ACD
logD 7.24 pH 4; Kutentha: 25 ° C (1) ACD
logD 7.34 pH 5; Kutentha: 25 ° C (1) ACD
logD 7.35 pH 6; Kutentha: 25 ° C (1) ACD
logD 7.35 pH 7; Kutentha: 25 ° C (1) ACD
logD 7.30 pH 8; Kutentha: 25 ° C (1) ACD
logD 7.01 pH 9; Kutentha: 25 ° C (1) ACD
logD 6.28 pH 10; Kutentha: 25 ° C (1) ACD
logP 7.351±0.713 Kutentha: 25 ° C (1) ACD
Mass Intrinsic Solubility 3.0 x 10-5 g/L Kutentha: 25 ° C (1) ACD
Misa Solubility 0.022 g/L pH 1; Kutentha: 25 ° C (1) ACD
Misa Solubility 1.0 x 10-3 g/L pH 2; Kutentha: 25 ° C (1) ACD
Misa Solubility 1.2 x 10-4 g/L pH 3; Kutentha: 25 ° C (1) ACD
Misa Solubility 3.9 x 10-5 g/L pH 4; Kutentha: 25 ° C (1) ACD
Misa Solubility 3.1 x 10-5 g/L pH 5; Kutentha: 25 ° C (1) ACD
Misa Solubility 3.0 x 10-5 g/L pH 6; Kutentha: 25 ° C (1) ACD
Misa Solubility 3.0 x 10-5 g/L pH 7; Kutentha: 25 ° C (1) ACD
Misa Solubility 3.3 x 10-5 g/L pH 8; Kutentha: 25 ° C (1) ACD
Misa Solubility 6.5 x 10-5 g/L pH 9; Kutentha: 25 ° C (1) ACD
Misa Solubility 3.5 x 10-4 g/L pH 10; Kutentha: 25 ° C (1) ACD
Misa Solubility 3.0 x 10-5 g/L Madzi Osasunthika pH 7.00; Kutentha: 25 ° C (1) ACD
Molar Intrinsic Solubility 3.5 x 10-8 mol / L Kutentha: 25 ° C (1) ACD
Molar Solubility 2.6 x 10-5 mol / L pH 1; Kutentha: 25 ° C (1) ACD
Molar Solubility 1.2 x 10-6 mol / L pH 2; Kutentha: 25 ° C (1) ACD
Molar Solubility 1.4 x 10-7 mol / L pH 3; Kutentha: 25 ° C (1) ACD
Molar Solubility 4.5 x 10-8 mol / L pH 4; Kutentha: 25 ° C (1) ACD
Molar Solubility 3.6 x 10-8 mol / L pH 5; Kutentha: 25 ° C (1) ACD
Molar Solubility 3.5 x 10-8 mol / L pH 6; Kutentha: 25 ° C (1) ACD
Molar Solubility 3.5 x 10-8 mol / L pH 7; Kutentha: 25 ° C (1) ACD
Molar Solubility 3.9 x 10-8 mol / L pH 8; Kutentha: 25 ° C (1) ACD
Molar Solubility 7.6 x 10-8 mol / L pH 9; Kutentha: 25 ° C (1) ACD
Molar Solubility 4.1 x 10-7 mol / L pH 10; Kutentha: 25 ° C (1) ACD

 

Katundu Mtengo Mkhalidwe Gwero
Molar Solubility 3.5 x 10-8 mol / L Madzi Osasunthika pH 7.00; Kutentha: 25 ° C (1) ACD
Kulemera kwa Maselo 857.91    
pKa 9.16±0.20 Kutentha Kwambiri kwa Acid: 25 ° C (1) ACD
pKa 3.45±0.70 Kutentha Kwambiri Kwambiri: 25 °C (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Zogwirizana ndi Kapangidwe

Katundu Mtengo Condition Source
Malo a Polar Surface 184 a2 (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Katundu Mtengo Mkhalidwe Gwero
Ma Bond Osinthasintha Mwaulere 18   (1) ACD
H Olandira 15   (1) ACD
H Opereka 2   (1) ACD
H Chiwerengero cha Wopereka / Wolandira 17   (1) ACD
logP 7.351±0.713 Kutentha: 25 ° C (1) ACD
Kulemera kwa Maselo 857.91    

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)


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