C41H49FN5O8P Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-deoxy-2′-fluoro-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI)

ngwaahịa

C41H49FN5O8P Cytidine, N-acetyl-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

159414-99-0

Njirimara anụ ahụ igodo Uru Ọnọdụ
Ibu molekụla 789.83 -
pKa (buru amụma) 10.11± 0.20 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=CC(= NC5=O)NC(=O)C)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(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C (OC)C=C4 )C5=CC=CC=C5

InChi

InChi= 1S/C41H49FN5O8P/c1-27(2)47(28(3)4)56(53-25-11-23-43)55-38-35(54-39(37(38)42)46- 24-22-36 (44-29 (5)48)45-40 (46)49)26-52- 41 (30-12-9-8-10-13-30,31-14-18-33 50-6)19-15-31)32-16-20-34(51-7)21-17-32/h8-10,12-22,24,27-28,35,37-39H,11, 25-26H2,1-7H3,(H, 44,45,48,49)/t35-,37-,38-,39-,56?/m1/s1

InChi Igodo

CNFKJHKDSRXNFL-UTXREMQHSA-N

1 Aha ọzọ maka ihe a

Cytidine,N- acetyl-5′O- [bis (4-methoxyphenyl) phenylmethyl] -2 '-deoxy-2' -fluoro-, 3' - [2-cyanoethyl bis (1-methylethyl) phosphor amidite] (9CI)
Spectra dị
Mass

Njirimara amụma

Ngwongwo dị
Usoro ndu
Chemical
Lipinski
Ọdịdị metụtara

Usoro ndu

Ngwongwo Uru Ọnọdụ Isi mmalite
Ihe kpatara bioconcentration 8.60 pH 1;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 90.3 pH 2;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 3940 pH 3;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 39100 pH 4;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 64300 pH 5;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 68100 pH 6;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 68300 pH 7;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 66800 pH 8;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 54300 pH 9;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 19200 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

Ngwongwo Uru Ọnọdụ Isi mmalite
Koc 12.6 pH 1;Okpomọkụ: 25 Celsius C (1) ACD
Koc 133 pH 2;Okpomọkụ: 25 Celsius C (1) ACD
Koc 5790 pH 3;Okpomọkụ: 25 Celsius C (1) ACD
Koc 57400 pH 4;Okpomọkụ: 25 Celsius C (1) ACD
Koc 94500 pH 5;Okpomọkụ: 25 Celsius C (1) ACD
Koc 1.00 x 105 pH 6;Okpomọkụ: 25 Celsius C (1) ACD
Koc 1.00 x 105 pH 7;Okpomọkụ: 25 Celsius C (1) ACD
Koc 98200 pH 8;Okpomọkụ: 25 Celsius C (1) ACD
Koc 79700 pH 9;Okpomọkụ: 25 Celsius C (1) ACD
Koc 28200 pH 10;Okpomọkụ: 25 Celsius C (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
logD 2.76 pH 1;Okpomọkụ: 25 Celsius C (1) ACD
logD 3.79 pH 2;Okpomọkụ: 25 Celsius C (1) ACD
logD 5.43 pH 3;Okpomọkụ: 25 Celsius C (1) ACD
logD 6.42 pH 4;Okpomọkụ: 25 Celsius C (1) ACD
logD 6.64 pH 5;Okpomọkụ: 25 Celsius C (1) ACD
logD 6.66 pH 6;Okpomọkụ: 25 Celsius C (1) ACD
logD 6.66 pH 7;Okpomọkụ: 25 Celsius C (1) ACD
logD 6.65 pH 8;Okpomọkụ: 25 Celsius C (1) ACD
logD 6.56 pH 9;Okpomọkụ: 25 Celsius C (1) ACD
logD 6.11 pH 10;Okpomọkụ: 25 Celsius C (1) ACD
logP 6.666± 0.764 Okpomọkụ: 25 Celsius C (1) ACD
Ọkachamara Solubility dị n'ime 4.5 x 10-5 g/L Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 0.36 g/L pH 1;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 0.035 g/L pH 2;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 7.90 x 10-4 g/L pH 3;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 7.9 x 10-5 g/L pH 4;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.8 x 10-5 g/L pH 5;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.6 x 10-5 g/L pH 6;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.6 x 10-5 g/L pH 7;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.7 x 10-5 g/L pH 8;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 5.7 x 10-5 g/L pH 9;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 1.6 x 10-4 g/L pH 10;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.6 x 10-5 g/L Mmiri na-enweghị atụ pH 7.00;Okpomọkụ: 25 Celsius C (1) ACD
Solubility dị n'ime Molar 5.7 x 10-8 mol/L Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 4.6 x 10-4 mol/L pH 1;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 4.4 x 10-5 mol / l pH 2;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.00 x 10-6 mol / l pH 3;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.0 x 10-7 mol / l pH 4;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 6.1 x 10-8 mol/L pH 5;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 5.8 x 10-8 mol/L pH 6;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 5.8 x 10-8 mol/L pH 7;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 5.9 x 10-8 mol/L pH 8;Okpomọkụ: 25 Celsius C (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
Solubility Molar 7.2 x 10-8 mol/L pH 9;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 2.0 x 10-7 mol / l pH 10;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 5.8 x 10-8 mol/L Mmiri na-enweghị atụ pH 7.00;Okpomọkụ: 25 Celsius C (1) ACD
Ibu molekụla 789.83
pKa 10.11± 0.20 Okpomọkụ kachasị acidic: 25 Celsius (1) ACD
pKa 3.57± 0.20 Okpomọkụ kachasị mma: 25 Celsius (1) ACD

(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 158 A2 (1) ACD

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


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