C41H49FN5O8P Cytidine, N-acetyl-5 ′ -O- fosifore amidite] (ACI)

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C41H49FN5O8P Cytidine, N-acetyl-5 ′ -O- fosifore amidite] (ACI)

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Numero ya CAS

159414-99-0

Ibyingenzi Byumubiri Agaciro Imiterere
Uburemere bwa molekile 789.83 -
pKa (Byahanuwe) 10.11 ± 0.20 Ubushyuhe bwinshi bwa Acide: 25 ° C.

 

Andi mazina nibiranga

Urwenya rwa 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 Urufunguzo

CNFKJHKDSRXNFL-UTXREMQHSA-N

1 Irindi zina kuriyi ngingo

Cytidine,N-acetyl-5 ′ -O- [bis.
Spectra irahari
Misa

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye

Ibinyabuzima

Umutungo Agaciro Imiterere Inkomoko
Ikintu cya Bioconcentration 8.60 pH 1;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 90.3 pH 2;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 3940 pH 3;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 39100 pH 4;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 64300 pH 5;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 68100 pH 6;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 68300 pH 7;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 66800 pH 8;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 54300 pH 9;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 19200 pH 10;Ubushyuhe: 25 ° C. (1) ACD

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Imiti

Umutungo Agaciro Imiterere Inkomoko
Koc 12.6 pH 1;Ubushyuhe: 25 ° C. (1) ACD
Koc 133 pH 2;Ubushyuhe: 25 ° C. (1) ACD
Koc 5790 pH 3;Ubushyuhe: 25 ° C. (1) ACD
Koc 57400 pH 4;Ubushyuhe: 25 ° C. (1) ACD
Koc 94500 pH 5;Ubushyuhe: 25 ° C. (1) ACD
Koc 1.00 x 105 pH 6;Ubushyuhe: 25 ° C. (1) ACD
Koc 1.00 x 105 pH 7;Ubushyuhe: 25 ° C. (1) ACD
Koc 98200 pH 8;Ubushyuhe: 25 ° C. (1) ACD
Koc 79700 pH 9;Ubushyuhe: 25 ° C. (1) ACD
Koc 28200 pH 10;Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
logD 2.76 pH 1;Ubushyuhe: 25 ° C. (1) ACD
logD 3.79 pH 2;Ubushyuhe: 25 ° C. (1) ACD
logD 5.43 pH 3;Ubushyuhe: 25 ° C. (1) ACD
logD 6.42 pH 4;Ubushyuhe: 25 ° C. (1) ACD
logD 6.64 pH 5;Ubushyuhe: 25 ° C. (1) ACD
logD 6.66 pH 6;Ubushyuhe: 25 ° C. (1) ACD
logD 6.66 pH 7;Ubushyuhe: 25 ° C. (1) ACD
logD 6.65 pH 8;Ubushyuhe: 25 ° C. (1) ACD
logD 6.56 pH 9;Ubushyuhe: 25 ° C. (1) ACD
logD 6.11 pH 10;Ubushyuhe: 25 ° C. (1) ACD
logP 6.666 ± 0.764 Ubushyuhe: 25 ° C. (1) ACD
Mass Massins Solubility 4.5 x 10-5 g / L. Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.36 g / L. pH 1;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.035 g / L. pH 2;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 7.90 x 10-4 g / L. pH 3;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 7.9 x 10-5 g / L. pH 4;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.8 x 10-5 g / L. pH 5;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.6 x 10-5 g / L. pH 6;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.6 x 10-5 g / L. pH 7;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 x 10-5 g / L. pH 8;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 5.7 x 10-5 g / L. pH 9;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 1.6 x 10-4 g / L. pH 10;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.6 x 10-5 g / L. Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C. (1) ACD
Molar Intrinsic Solubility 5.7 x 10-8 mol / L. Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 4.6 x 10-4 mol / L. pH 1;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 4.4 x 10-5 mol / L. pH 2;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.00 x 10-6 mol / L. pH 3;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.0 x 10-7 mol / L. pH 4;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 6.1 x 10-8 mol / L. pH 5;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.8 x 10-8 mol / L. pH 6;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.8 x 10-8 mol / L. pH 7;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.9 x 10-8 mol / L. pH 8;Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Amashanyarazi 7.2 x 10-8 mol / L. pH 9;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 2.0 x 10-7 mol / L. pH 10;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.8 x 10-8 mol / L. Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 789.83
pKa 10.11 ± 0.20 Ubushyuhe bwinshi bwa Acide: 25 ° C. (1) ACD
pKa 3.57 ± 0.20 Ubushyuhe bwibanze: 25 ° C. (1) ACD

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Imiterere ijyanye

Umutungo Agaciro Inkomoko
Ubuso bwa polarike 158 A2 (1) ACD

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