C47H51FN7O7P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) fosforasi amidite] (ACI)

bidhaa

C47H51FN7O7P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) fosforasi amidite] (ACI)

Taarifa za Msingi:


Maelezo ya Bidhaa

Lebo za Bidhaa

Maelezo ya Dawa

Nambari ya Usajili ya CAS

136834-22-5

Sifa Muhimu za Kimwili Thamani Hali
Uzito wa Masi 875.92 -
pKa (Iliyotabiriwa) 7.87±0.43 Halijoto ya Asidi Zaidi: 25 °C

Majina Mengine na Vitambulisho

TABASAMU za Kikanuni

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

Isomeric TABASAMU

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

Ufunguo wa InChi

VCCMVPSLHFCBB-MSIRHFKSA-N

1 Jina Lingine la Dawa hii

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

Mali Zilizotabiriwa

Mali zinazopatikana
Kibiolojia
Kemikali
Lipinski
Kuhusiana na Muundo

Kibiolojia

Mali Thamani Hali Chanzo
Kipengele cha Mkusanyiko wa Kibiolojia 6590 pH 1; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.76 x 105 pH 2; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.00 x 106 pH 3; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.00 x 106 pH 4; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.00 x 106 pH 5; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.00 x 106 pH 6; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.00 x 106 pH 7; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.00 x 106 pH 8; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 3.43 x 105 pH 9; Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 99100 pH 10; Joto: 25 °C (1) ACD

(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)

Kemikali

Chanzo cha Hali ya Thamani ya Mali
Koc 2590 pH 1; Joto: 25 °C (1) ACD
Koc 69100 pH 2; Joto: 25 °C (1) ACD
Koc 6.96 x 105 pH 3; Joto: 25 °C (1) ACD
Koc 2.16 x 106 pH 4; Joto: 25 °C (1) ACD
Koc 2.70 x 106 pH 5; Joto: 25 °C (1) ACD
Koc 2.71 x 106 pH 6; Joto: 25 °C (1) ACD
Koc 2.23 x 106 pH 7; Joto: 25 °C (1) ACD
Koc 8.20 x 105 pH 8; Joto: 25 °C (1) ACD
Koc 1.35 x 105 pH 9; Joto: 25 °C (1) ACD
Koc 39000 pH 10; Joto: 25 °C (1) ACD
logD 6.29 pH 1; Joto: 25 °C (1) ACD
logD 7.71 pH 2; Joto: 25 °C (1) ACD

 

Mali Thamani Hali Chanzo
logD 8.71 pH 3; Joto: 25 °C (1) ACD
logD 9.20 pH 4; Joto: 25 °C (1) ACD
logD 9.30 pH 5; Joto: 25 °C (1) ACD
logD 9.30 pH 6; Joto: 25 °C (1) ACD
logD 9.22 pH 7; Joto: 25 °C (1) ACD
logD 8.79 pH 8; Joto: 25 °C (1) ACD
logD 8.00 pH 9; Joto: 25 °C (1) ACD
logD 7.46 pH 10; Joto: 25 °C (1) ACD
logP 9.317±0.714 Joto: 25 °C (1) ACD
Umumunyifu wa Ndani wa Misa 3.4 x 10-6 g/L Joto: 25 °C (1) ACD
Umumunyifu wa Misa 3.6 x 10-3 g/L pH 1; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 1.3 x 10-4 g/L pH 2; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 1.3 x 10-5 g/L pH 3; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 4.3 x 10-6 g/L pH 4; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 3.4 x 10-6 g/L pH 5; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 3.4 x 10-6 g/L pH 6; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 4.1 x 10-6 g/L pH 7; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 1.1 x 10-5 g/L pH 8; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 6.9 x 10-5 g/L pH 9; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 2.5 x 10-4 g/L pH 10; Joto: 25 °C (1) ACD
Umumunyifu wa Misa 4.1 x 10-6 g/L Maji yasiyo na buffered pH 7.00; Joto: 25 °C (1) ACD
Umumunyifu wa Ndani wa Molar 3.9 x 10-9 mol/L Joto: 25 °C (1) ACD
Umumunyifu wa Molar 4.1 x 10-6 mol/L pH 1; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 1.5 x 10-7 mol/L pH 2; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 1.5 x 10-8 mol/L pH 3; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 4.9 x 10-9 mol/L pH 4; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 3.9 x 10-9 mol/L pH 5; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 3.9 x 10-9 mol/L pH 6; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 4.7 x 10-9 mol/L pH 7; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 1.3 x 10-8 mol/L pH 8; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 7.9 x 10-8 mol/L pH 9; Joto: 25 °C (1) ACD
Umumunyifu wa Molar 2.8 x 10-7 mol/L pH 10; Joto: 25 °C (1) ACD

 

Mali Thamani Hali Chanzo
Umumunyifu wa Molar 4.7 x 10-9 mol/L Maji yasiyo na buffered pH 7.00; Joto: 25 °C (1) ACD
Uzito wa Masi 875.92    
pKa 7.87±0.43 Halijoto ya Asidi Zaidi: 25 °C (1) ACD
pKa 3.45±0.70 Joto la Msingi Zaidi: 25 °C (1) ACD

(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Mali Thamani Hali Chanzo
Vifungo vinavyoweza kuzungushwa kwa Uhuru 18   (1) ACD
H Wapokeaji 14   (1) ACD
H Wafadhili 1   (1) ACD
H Jumla ya Mfadhili/Mpokeaji 15   (1) ACD
logP 9.317±0.714 Joto: 25 °C (1) ACD
Uzito wa Masi 875.92    

(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)

Kuhusiana na Muundo

Mali Thamani Chanzo cha Hali
Eneo la Uso wa Polar 169 A2 (1) ACD

(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)


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