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

samfur

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

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Cikakken Bayani

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Bayanin Abu

Lambar Rijistar CAS

146954-75-8

Mabuɗin Abubuwan Jiki Daraja Yanayi
Nauyin Kwayoyin Halitta 748.78 -
pKa (An annabta) 9.39± 0.10 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

MURMUSHI na Canonical

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

MURMUSHI

C (OC[C@H] 1[C@@H](OP(N(C(C))C)C H](O1)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)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 Wani Sunan Wannan Abu

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

Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi

Halittu

Dukiya Daraja Yanayi Source
Factor na Bioconcentration 457 pH da 1; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 3690 pH da 2; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 27700 pH da 3; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 82900 pH da 4; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.04 x 105 pH da 5; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.06 x 105 pH da 6; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.06 x 105 pH da 7; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.02 x 105 pH da 8; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 76200 pH da 9; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 22000 pH 10; Zazzabi: 25 ° C (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

Tushen Halin Ƙimar Dukiya
Koc 592 pH 1; Zazzabi: 25 °C (1) ACD
Koc 4790 pH 2; Zazzabi: 25 °C (1) ACD
Koc 36000 pH 3; Zazzabi: 25 °C (1) ACD
Koc 1.07 x 105 pH 4; Zazzabi: 25 °C (1) ACD
Koc 1.34 x 105 pH 5; Zazzabi: 25 °C (1) ACD
Koc 1.38 x 105 pH 6; Zazzabi: 25 °C (1) ACD
Koc 1.37 x 105 pH 7; Zazzabi: 25 °C (1) ACD
Koc 1.33 x 105 pH 8; Zazzabi: 25 °C (1) ACD
Koc 98800 pH 9; Zazzabi: 25 °C (1) ACD
Koc 28600 pH 10; Zazzabi: 25 °C (1) ACD
logD 4.55 pH 1; Zazzabi: 25 °C (1) ACD
logD 5.46 pH 2; Zazzabi: 25 °C (1) ACD
logD 6.33 pH 3; Zazzabi: 25 °C (1) ACD

 

Dukiya Daraja Yanayi Source
logD 6.81 pH da 4; Zazzabi: 25 ° C (1) ACD
logD 6.91 pH da 5; Zazzabi: 25 ° C (1) ACD
logD 6.92 pH da 6; Zazzabi: 25 ° C (1) ACD
logD 6.92 pH da 7; Zazzabi: 25 ° C (1) ACD
logD 6.90 pH da 8; Zazzabi: 25 ° C (1) ACD
logD 6.77 pH da 9; Zazzabi: 25 ° C (1) ACD
logD 6.23 pH 10; Zazzabi: 25 ° C (1) ACD
logP 6.918± 0.641 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 2.2 x 10-5 g/L Zazzabi: 25 ° C (1) ACD
Mass Solubility 5.1 x 10-3 g/L pH da 1; Zazzabi: 25 ° C (1) ACD
Mass Solubility 6.3 x 10-4 g/L pH da 2; Zazzabi: 25 ° C (1) ACD
Mass Solubility 8.2 x 10-5 g/L pH da 3; Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.8 x 10-5 g/L pH da 4; Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.2 x 10-5 g/L pH da 5; Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.2 x 10-5 g/L pH da 6; Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.2 x 10-5 g/L pH da 7; Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.2 x 10-5 g/L pH da 8; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.0 x 10-5 g/L pH da 9; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.0 x 10-4 g/L pH 10; Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.2 x 10-5 g/L Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 2.9 x 10-8 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 6.8 x 10-6 mol/L pH da 1; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 8.4 x 10-7 mol/L pH da 2; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.1 x 10-7 mol/L pH da 3; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.7 x 10-8 mol/L pH da 4; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.0 x 10-8 mol/L pH da 5; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.9 x 10-8 mol/L pH da 6; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.9 x 10-8 mol/L pH da 7; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.0 x 10-8 mol/L pH da 8; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.0 x 10-8 mol/L pH da 9; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.4 x 10-7 mol/L pH 10; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.9 x 10-8 mol/L Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Yanayi Source
Nauyin Kwayoyin Halitta 748.78    
pKa 9.39± 0.10 Mafi yawan zafin jiki: 25 ° C (1) ACD
pKa 3.45± 0.70 Mafi Asalin Zazzabi: 25 ° C (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Dukiya Daraja Yanayi Source
Ƙimar Rarraba Kyauta 17   (1) ACD
H Masu karɓa 12   (1) ACD
H Masu Ba da taimako 1   (1) ACD
H Donor/Acceptor Sum 13   (1) ACD
logP 6.918± 0.641 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 748.78    

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Tsarin Yanayi

Dukiya Daraja Tushen yanayi
Wuri Mai Girma 145 A2 (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)


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