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

ngwaahịa

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

Ozi bụ isi:


Nkọwa ngwaahịa

Mkpado ngwaahịa

Nkọwa ihe

Nọmba ndekọ CAS

136834-22-5

Njirimara anụ ahụ igodo Uru Ọnọdụ
Ibu molekụla 875.92 -
pKa (buru amụma) 7.87± 0.43 Okpomọkụ kachasị acidic: 25 Celsius

Aha ndị ọzọ na njirimara

Ọchịchị 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

Isomeric SMILES

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

Igodo InChi

VCCMVPDSLHFCBB-MSIRFHFKSA-N

1 Aha ọzọ maka ihe a

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

Njirimara amụma

Ngwongwo dị
Usoro ndu
Chemical
Lipinski
Ọdịdị metụtara

Usoro ndu

Ngwongwo Uru Ọnọdụ Isi mmalite
Ihe kpatara bioconcentration 6590 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1,76 x 105 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.00 x 106 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.00 x 106 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.00 x 106 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.00 x 106 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.00 x 106 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.00 x 106 pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 3,43 x 105 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 99100 pH 10; Okpomọkụ: 25 Celsius C (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

Isi mmalite Ọnọdụ Uru Ala
Koc 2590 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Koc 69100 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Koc 6.96 x 105 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Koc 2.16 x 106 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Koc 2.70 x 106 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Koc 2.71 x 106 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Koc 2.23 x 106 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Koc 8.20 x 105 pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Koc 1.35 x 105 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Koc 39000 pH 10; Okpomọkụ: 25 Celsius C (1) ACD
logD 6.29 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
logD 7.71 pH 2; Okpomọkụ: 25 Celsius C (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
logD 8.71 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
logD 9.20 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
logD 9.30 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
logD 9.30 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
logD 9.22 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
logD 8.79 pH 8; Okpomọkụ: 25 Celsius C (1) ACD
logD 8.00 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
logD 7.46 pH 10; Okpomọkụ: 25 Celsius C (1) ACD
logP 9.317± 0.714 Okpomọkụ: 25 Celsius C (1) ACD
Ọkachamara Solubility dị n'ime 3.4 x 10-6 g/L Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 3.6 x 10-3 g/L pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 1.3 x 10-4 g/L pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 1.3 x 10-5 g/L pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.3 x 10-6 g/L pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 3.4 x 10-6 g/L pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 3.4 x 10-6 g/L pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.1 x 10-6 g/L pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 1.1 x 10-5 g/L pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 6.9 x 10-5 g/L pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 2.5 x 10-4 g/L pH 10; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.1 x 10-6 g/L Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C (1) ACD
Solubility dị n'ime Molar 3.9 x 10-9 mol/L Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 4.1 x 10-6 mol/L pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.5 x 10-7 mol / l pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.5 x 10-8 mol / l pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 4.9 x 10-9 mol/L pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 3.9 x 10-9 mol/L pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 3.9 x 10-9 mol/L pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 4.7 x 10-9 mol/L pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.3 x 10-8 mol / l pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 7.9 x 10-8 mol/L pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 2.8 x 10-7 mol/L pH 10; Okpomọkụ: 25 Celsius C (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
Solubility Molar 4.7 x 10-9 mol/L Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C (1) ACD
Ibu molekụla 875.92    
pKa 7.87± 0.43 Okpomọkụ kachasị acidic: 25 Celsius (1) ACD
pKa 3.45± 0.70 Okpomọkụ kachasị mma: 25 Celsius (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ngwongwo Uru Ọnọdụ Isi mmalite
Nkwekọrịta na-agbanwe agbanwe n'efu 18   (1) ACD
H Ndị nnabata 14   (1) ACD
H Ndị na-enye onyinye 1   (1) ACD
H Donor/Anabata Nchikota 15   (1) ACD
logP 9.317± 0.714 Okpomọkụ: 25 Celsius C (1) ACD
Ibu molekụla 875.92    

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Ọdịdị metụtara

Ngwongwo Uru Isi mmalite ọnọdụ
Mpaghara elu elu 169 A2 (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)


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