C39H46FN4O8P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI) )

mankhwala

C39H46FN4O8P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI) )

Zambiri Zoyambira:


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Zolemba Zamalonda

Tsatanetsatane wa Mankhwala

Nambala ya Registry ya CAS

146954-75-8

Zofunika Zathupi Mtengo Mkhalidwe
Kulemera kwa Maselo 748.78 -
pKa (Zonenedweratu) 9.39±0.10 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=CC(= O)NC5=O)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)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C=C3)(C4=CC=C(OC)C= C4)C5=CC=CC =C5

InChi

InChi= 1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43-23- 21-34(45)42-38(43)46)25-49-39(28-11 -8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-3 0/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1-6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1

InChi Key

HQHQPAYRJJMYQX-DJTPZYMWSA-N

1 Dzina Lina la chinthu ichi

Uridine, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ -fluoro-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI)

Katundu zilipo
Zachilengedwe
Chemical
Lipinski
Zogwirizana ndi Kapangidwe

Zachilengedwe

Katundu Mtengo Mkhalidwe Gwero
Bioconcentration Factor 457 pH 1; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 3690 pH 2; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 27700 pH 3; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 82900 pH 4; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.04x105 pH 5; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.06x105 pH 6; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.06x105 pH 7; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.02 x 105 pH 8; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 76200 pH 9; Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 22000 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 592 pH 1; Kutentha: 25 °C (1) ACD
Koc 4790 pH 2; Kutentha: 25 °C (1) ACD
Koc 36000 pH 3; Kutentha: 25 °C (1) ACD
Koc 1.07 x 105 pH 4; Kutentha: 25 °C (1) ACD
Koc 1.34 x 105 pH 5; Kutentha: 25 °C (1) ACD
Koc 1.38 x 105 pH 6; Kutentha: 25 °C (1) ACD
Koc 1.37 x 105 pH 7; Kutentha: 25 °C (1) ACD
Koc 1.33 x 105 pH 8; Kutentha: 25 °C (1) ACD
Koc 98800 pH 9; Kutentha: 25 °C (1) ACD
Koc 28600 pH 10; Kutentha: 25 °C (1) ACD
logD 4.55 pH 1; Kutentha: 25 °C (1) ACD
logD 5.46 pH 2; Kutentha: 25 °C (1) ACD
logD 6.33 pH 3; Kutentha: 25 °C (1) ACD

 

Katundu Mtengo Mkhalidwe Gwero
logD 6.81 pH 4; Kutentha: 25 ° C (1) ACD
logD 6.91 pH 5; Kutentha: 25 ° C (1) ACD
logD 6.92 pH 6; Kutentha: 25 ° C (1) ACD
logD 6.92 pH 7; Kutentha: 25 ° C (1) ACD
logD 6.90 pH 8; Kutentha: 25 ° C (1) ACD
logD 6.77 pH 9; Kutentha: 25 ° C (1) ACD
logD 6.23 pH 10; Kutentha: 25 ° C (1) ACD
logP 6.918±0.641 Kutentha: 25 ° C (1) ACD
Mass Intrinsic Solubility 2.2 x 10-5 g/L Kutentha: 25 ° C (1) ACD
Misa Solubility 5.1 x 10-3 g/L pH 1; Kutentha: 25 ° C (1) ACD
Misa Solubility 6.3 x 10-4 g/L pH 2; Kutentha: 25 ° C (1) ACD
Misa Solubility 8.2 x 10-5 g/L pH 3; Kutentha: 25 ° C (1) ACD
Misa Solubility 2.8 x 10-5 g/L pH 4; Kutentha: 25 ° C (1) ACD
Misa Solubility 2.2 x 10-5 g/L pH 5; Kutentha: 25 ° C (1) ACD
Misa Solubility 2.2 x 10-5 g/L pH 6; Kutentha: 25 ° C (1) ACD
Misa Solubility 2.2 x 10-5 g/L pH 7; Kutentha: 25 ° C (1) ACD
Misa Solubility 2.2 x 10-5 g/L pH 8; Kutentha: 25 ° C (1) ACD
Misa Solubility 3.0 x 10-5 g/L pH 9; Kutentha: 25 ° C (1) ACD
Misa Solubility 1.0 x 10-4 g/L pH 10; Kutentha: 25 ° C (1) ACD
Misa Solubility 2.2 x 10-5 g/L Madzi Osasunthika pH 7.00; Kutentha: 25 ° C (1) ACD
Molar Intrinsic Solubility 2.9 x 10-8 mol / L Kutentha: 25 ° C (1) ACD
Molar Solubility 6.8 x 10-6 mol / L pH 1; Kutentha: 25 ° C (1) ACD
Molar Solubility 8.4 x 10-7 mol / L pH 2; Kutentha: 25 ° C (1) ACD
Molar Solubility 1.1 x 10-7 mol / L pH 3; Kutentha: 25 ° C (1) ACD
Molar Solubility 3.7 x 10-8 mol / L pH 4; Kutentha: 25 ° C (1) ACD
Molar Solubility 3.0 x 10-8 mol/L pH 5; Kutentha: 25 ° C (1) ACD
Molar Solubility 2.9 x 10-8 mol / L pH 6; Kutentha: 25 ° C (1) ACD
Molar Solubility 2.9 x 10-8 mol / L pH 7; Kutentha: 25 ° C (1) ACD
Molar Solubility 3.0 x 10-8 mol/L pH 8; Kutentha: 25 ° C (1) ACD
Molar Solubility 4.0 x 10-8 mol/L pH 9; Kutentha: 25 ° C (1) ACD
Molar Solubility 1.4 x 10-7 mol / L pH 10; Kutentha: 25 ° C (1) ACD
Molar Solubility 2.9 x 10-8 mol / L Madzi Osasunthika pH 7.00; Kutentha: 25 ° C (1) ACD

 

Katundu Mtengo Mkhalidwe Gwero
Kulemera kwa Maselo 748.78    
pKa 9.39±0.10 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)

Lipinski

Katundu Mtengo Mkhalidwe Gwero
Ma Bond Osinthasintha Mwaulere 17   (1) ACD
H Olandira 12   (1) ACD
H Opereka 1   (1) ACD
H Chiwerengero cha Wopereka / Wolandira 13   (1) ACD
logP 6.918±0.641 Kutentha: 25 ° C (1) ACD
Kulemera kwa Maselo 748.78    

(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 145 a2 (1) ACD

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


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