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

alaabta

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

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Faahfaahinta Alaabta

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Faahfaahinta Walaxda

Lambarka Diiwaanka CAS

146954-75-8

Qalabka Jidhka ee Furaha ah Qiimaha Xaalad
Miisaanka Molecular 748.78 -
pKa (La saadaaliyay) 9.39±0.10 Heerkulka ugu acidic badan: 25 °C

Magacyo Kale iyo Aqoonsiyo

Dhoola-cadaynta 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

Dhoola-caddeyn

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=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

Furaha InChi

HQHQPAYRJJMYQX-DJTPZYMWSA-N

1 Magaca kale ee walaxdan

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

Guryaha la heli karo
Nafley
Kiimiko
Lipinski
Qaab-dhismeedka La Xiriira

Nafley

Hanti Qiimaha Xaalad Xigasho
Qodobka bioconcentration 457 pH 1; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 3690 pH 2; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 27700 pH 3; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 82900 pH 4; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.04 x 105 pH 5; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.06 x 105 pH 6; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.06 x 105 pH 7; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.02 x 105 pH 8; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 76200 pH 9; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 22000 pH 10; Heerkulka: 25 °C (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kiimiko

Isha Xaaladda Qiimaha Hantida
Koc 592 pH 1; Heerkulka: 25 °C (1) ACD
Koc 4790 pH 2; Heerkulka: 25 °C (1) ACD
Koc 36000 pH 3; Heerkulka: 25 °C (1) ACD
Koc 1.07 x 105 pH 4; Heerkulka: 25 °C (1) ACD
Koc 1.34 x 105 pH 5; Heerkulka: 25 °C (1) ACD
Koc 1.38 x 105 pH 6; Heerkulka: 25 °C (1) ACD
Koc 1.37 x 105 pH 7; Heerkulka: 25 °C (1) ACD
Koc 1.33 x 105 pH 8; Heerkulka: 25 °C (1) ACD
Koc 98800 pH 9; Heerkulka: 25 °C (1) ACD
Koc 28600 pH 10; Heerkulka: 25 °C (1) ACD
logD 4.55 pH 1; Heerkulka: 25 °C (1) ACD
logD 5.46 pH 2; Heerkulka: 25 °C (1) ACD
logD 6.33 pH 3; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
logD 6.81 pH 4; Heerkulka: 25 °C (1) ACD
logD 6.91 pH 5; Heerkulka: 25 °C (1) ACD
logD 6.92 pH 6; Heerkulka: 25 °C (1) ACD
logD 6.92 pH 7; Heerkulka: 25 °C (1) ACD
logD 6.90 pH 8; Heerkulka: 25 °C (1) ACD
logD 6.77 pH 9; Heerkulka: 25 °C (1) ACD
logD 6.23 pH 10; Heerkulka: 25 °C (1) ACD
logP 6.918± 0.641 Heerkulka: 25 °C (1) ACD
Solubility Mass Intrinsic 2.2 x 10-5 g/L Heerkulka: 25 °C (1) ACD
Xalka tirada badan 5.1 x 10-3 g/L pH 1; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 6.3 x 10-4 g/L pH 2; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 8.2 x 10-5 g/L pH 3; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 2.8 x 10-5 g/L pH 4; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 2.2 x 10-5 g/L pH 5; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 2.2 x 10-5 g/L pH 6; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 2.2 x 10-5 g/L pH 7; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 2.2 x 10-5 g/L pH 8; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 3.0 x 10-5 g/L pH 9; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.0 x 10-4 g/L pH 10; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 2.2 x 10-5 g/L Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C (1) ACD
Solubility Intrinsic Molar 2.9 x 10-8 mol/L Heerkulka: 25 °C (1) ACD
Solubility Molar 6.8 x 10-6 mol/L pH 1; Heerkulka: 25 °C (1) ACD
Solubility Molar 8.4 x 10-7 mol/L pH 2; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.1 x 10-7 mol/L pH 3; Heerkulka: 25 °C (1) ACD
Solubility Molar 3.7 x 10-8 mol/L pH 4; Heerkulka: 25 °C (1) ACD
Solubility Molar 3.0 x 10-8 mol/L pH 5; Heerkulka: 25 °C (1) ACD
Solubility Molar 2.9 x 10-8 mol/L pH 6; Heerkulka: 25 °C (1) ACD
Solubility Molar 2.9 x 10-8 mol/L pH 7; Heerkulka: 25 °C (1) ACD
Solubility Molar 3.0 x 10-8 mol/L pH 8; Heerkulka: 25 °C (1) ACD
Solubility Molar 4.0 x 10-8 mol/L pH 9; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.4 x 10-7 mol/L pH 10; Heerkulka: 25 °C (1) ACD
Solubility Molar 2.9 x 10-8 mol/L Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Miisaanka Molecular 748.78    
pKa 9.39±0.10 Heerkulka ugu acidic badan: 25 °C (1) ACD
pKa 3.45±0.70 Heerkulka ugu badan ee aasaasiga ah: 25 °C (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Hanti Qiimaha Xaalad Xigasho
Boondhigyo si xor ah loo wareejin karo 17   (1) ACD
H Aqbalayaasha 12   (1) ACD
H Deeq-bixiyayaasha 1   (1) ACD
Ku-deeqaha/Aqbalka Wadarta 13   (1) ACD
logP 6.918± 0.641 Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 748.78    

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Qaab-dhismeedka La Xiriira

Hanti Qiimaha Isha Xaaladda
Aagga dusha sare ee Polar 145 A2 (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)


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