C47H51FN7O7P Adenosine, N-benzoyl-5'-O- [bis(4-methoxyphenyl) phenylmethyl]-2'-deoxy-2'-fluoro-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) fosfoor amiite] (ACI)

alaabta

C47H51FN7O7P Adenosine, N-benzoyl-5'-O- [bis(4-methoxyphenyl) phenylmethyl]-2'-deoxy-2'-fluoro-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) fosfoor amiite] (ACI)

Macluumaadka aasaasiga ah:


Faahfaahinta Alaabta

Tags Product

Faahfaahinta Walaxda

Lambarka Diiwaanka CAS

136834-22-5

Qalabka Jidhka ee Furaha ah Qiimaha Xaalad
Miisaanka Molecular 875.92 -
pKa (La saadaaliyay) 7.87±0.43 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= NC=6C (= NC= NC65)NC(=O)C=7C=CC=CC7) 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=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5=CC=C) (OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7

InChi

InChi= 1S/C47H51FN7O7P/c1-31(2)55(32(3)4)63(60-27-13-26-49)62-42-39(61-46(40(42)48)54-30- 52-41-43(50-29-51-44(41)54)53-45(56) 33-14-9-7-10-15-33)28-59-47(34-16-11-8-12-17-34,35-18-22-37(57) -5)23-19-35)36-20-24-38(58-6)25-21-36/h7-12,14-25,29-32,39-40,4 2,46H,13,27-28H2,1-6H3,(H,50,51,53,56)/t39-,40-,42-,46-,63?/m1/s1

Furaha InChi

VCCMVPDSLHFCBB-MSIRFHFKSA-N

1 Magaca kale ee walaxdan

Adenosin,N-benzoyl-5′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluoro-, 3'- [2-cyanoethyl bis (1-methylethyl) fosfoor amidite] (9CI)

Guryaha la saadaaliyay

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

Nafley

Hanti Qiimaha Xaalad Xigasho
Qodobka bioconcentration 6590 pH 1; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.76 x 105 pH 2; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.00 x 106 pH 3; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.00 x 106 pH 4; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.00 x 106 pH 5; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.00 x 106 pH 6; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.00 x 106 pH 7; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.00 x 106 pH 8; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 3.43 x 105 pH 9; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 99100 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 2590 pH 1; Heerkulka: 25 °C (1) ACD
Koc 69100 pH 2; Heerkulka: 25 °C (1) ACD
Koc 6.96 x 105 pH 3; Heerkulka: 25 °C (1) ACD
Koc 2.16 x 106 pH 4; Heerkulka: 25 °C (1) ACD
Koc 2.70 x 106 pH 5; Heerkulka: 25 °C (1) ACD
Koc 2.71 x 106 pH 6; Heerkulka: 25 °C (1) ACD
Koc 2.23 x 106 pH 7; Heerkulka: 25 °C (1) ACD
Koc 8.20 x 105 pH 8; Heerkulka: 25 °C (1) ACD
Koc 1.35 x 105 pH 9; Heerkulka: 25 °C (1) ACD
Koc 39000 pH 10; Heerkulka: 25 °C (1) ACD
logD 6.29 pH 1; Heerkulka: 25 °C (1) ACD
logD 7.71 pH 2; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
logD 8.71 pH 3; Heerkulka: 25 °C (1) ACD
logD 9.20 pH 4; Heerkulka: 25 °C (1) ACD
logD 9.30 pH 5; Heerkulka: 25 °C (1) ACD
logD 9.30 pH 6; Heerkulka: 25 °C (1) ACD
logD 9.22 pH 7; Heerkulka: 25 °C (1) ACD
logD 8.79 pH 8; Heerkulka: 25 °C (1) ACD
logD 8.00 pH 9; Heerkulka: 25 °C (1) ACD
logD 7.46 pH 10; Heerkulka: 25 °C (1) ACD
logP 9.317± 0.714 Heerkulka: 25 °C (1) ACD
Solubility Mass Intrinsic 3.4 x 10-6 g/L Heerkulka: 25 °C (1) ACD
Solubility Mass 3.6 x 10-3 g/L pH 1; Heerkulka: 25 °C (1) ACD
Solubility Mass 1.3 x 10-4 g/L pH 2; Heerkulka: 25 °C (1) ACD
Solubility Mass 1.3 x 10-5 g/L pH 3; Heerkulka: 25 °C (1) ACD
Solubility Mass 4.3 x 10-6 g/L pH 4; Heerkulka: 25 °C (1) ACD
Solubility Mass 3.4 x 10-6 g/L pH 5; Heerkulka: 25 °C (1) ACD
Solubility Mass 3.4 x 10-6 g/L pH 6; Heerkulka: 25 °C (1) ACD
Solubility Mass 4.1 x 10-6 g/L pH 7; Heerkulka: 25 °C (1) ACD
Solubility Mass 1.1 x 10-5 g/L pH 8; Heerkulka: 25 °C (1) ACD
Solubility Mass 6.9 x 10-5 g/L pH 9; Heerkulka: 25 °C (1) ACD
Solubility Mass 2.5 x 10-4 g/L pH 10; Heerkulka: 25 °C (1) ACD
Solubility Mass 4.1 x 10-6 g/L Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C (1) ACD
Solubility Intrinsic Molar 3.9 x 10-9 mol/L Heerkulka: 25 °C (1) ACD
Solubility Molar 4.1 x 10-6 mol/L pH 1; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.5 x 10-7 mol/L pH 2; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.5 x 10-8 mol/L pH 3; Heerkulka: 25 °C (1) ACD
Solubility Molar 4.9 x 10-9 mol/L pH 4; Heerkulka: 25 °C (1) ACD
Solubility Molar 3.9 x 10-9 mol/L pH 5; Heerkulka: 25 °C (1) ACD
Solubility Molar 3.9 x 10-9 mol/L pH 6; Heerkulka: 25 °C (1) ACD
Solubility Molar 4.7 x 10-9 mol/L pH 7; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.3 x 10-8 mol/L pH 8; Heerkulka: 25 °C (1) ACD
Solubility Molar 7.9 x 10-8 mol/L pH 9; Heerkulka: 25 °C (1) ACD
Solubility Molar 2.8 x 10-7 mol/L pH 10; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Solubility Molar 4.7 x 10-9 mol/L Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 875.92    
pKa 7.87±0.43 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 18   (1) ACD
H Aqbalayaasha 14   (1) ACD
H Deeq-bixiyayaasha 1   (1) ACD
Ku-deeqaha/Aqbalka Wadarta 15   (1) ACD
logP 9.317± 0.714 Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 875.92    

(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 169 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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