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

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 ingufu 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 ingufu 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