C41H49FN5O8P Cytidine, N-acetyl-5 ′ -O- [BIS (4-methoxyphenyl) phenylmethyl] -2 ′-deoksi-2 ′ -fluoro-, 3 ′-[2-cyanoethyl N, N-BIS (1-methylethyl) Amidite Amidite Amidite Amidite (N-Cyanoethyl N, N-B-B-BIS (1-methylethyl) Amidite (1-Cyanoethyl N, N-BIS (1-methylethyl) (1-methylethyl) (1-methylethyl) (1-methylethyl) (

C41H49FN5O8P Cytidine, N-acetyl-5 ′ -O- [BIS (4-methoxyphenyl) phenylmethyl] -2 ′-deoksi-2 ′ -fluoro-, 3 ′-[2-cyanoethyl N, N-BIS (1-methylethyl) Amid AMID (2-cyanoethyl (N-BIS (1-methylethyl) (

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Detail Substansi

Nomor Registri CAS

159414-99-0

Sifat fisik utama	Nilai	Kondisi
Berat molekul	789.83	-
pKa (diprediksi)	10.11 ± 0,20	Sebagian besar suhu asam: 25 ° C

Nama dan pengenal lainnya

Senyum kanonik

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.

Senyum isomer

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) c = c = c2) (c3 = cc = cc = c = c = c = c = c2 (OC) C = C4) C5 = CC = CC = C5

Inci

Inchi = 1S/C41H49FN5O8P/C1-27 (2) 47 (28 (3) 4) 56 (53-25-11-23-43) 55-38-35 (54-39 (37) 42) 46-22-36 (44-29 (5) 48) 48) 46) 46) 46) (44-29 (5) (5) 48) 46) 46) 46) 46) 46) 46) 48) 48) 48) 48) 48) 48) 48) 48) 48 (3) (3) (3) (3) (3) (3) (3) (3) 48) 48) 48 (3) (44) (44) (44) (44) (44) (44-29) 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/H8-10,12-22,24,27-28,35,37-37-39h, 11,25-226 jam27-28-28,35,37-37-39, 11,25-26-28-28,35,37-37-39, 11,25-28-28-28-28-28-28-28-28-28-28-28 44,45,48,49)/T35-, 37-, 38-, 39-, 56?/M1/S1

Kunci Inchi

CNFKJHKDSRXNFL-UTXREMQHSA-N

1 nama lain untuk zat ini

Cytidine,N-acetyl -5 ′ -O-[BIS (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′ -fluoro-, 3 ′-[2-cyanoethyl bis (1-methylethyl) fosfor amidit] (9ci)
Spektrum tersedia
Massa

Prediksi Properties

Properti tersedia
Biologis
Kimia
Lipinski
Terkait struktur

Biologis

Milik	Nilai	Kondisi	Sumber
Faktor biokonsentrasi	8.60	pH 1; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	90.3	pH 2; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	3940	pH 3; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	39100	pH 4; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	64300	pH 5; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	68100	pH 6; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	68300	pH 7; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	66800	pH 8; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	54300	pH 9; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	19200	pH 10; Temp: 25 ° C.	(1) ACD

Kimia

Milik	Nilai	Kondisi	Sumber
Koc	12.6	pH 1; Temp: 25 ° C.	(1) ACD
Koc	133	pH 2; Temp: 25 ° C.	(1) ACD
Koc	5790	pH 3; Temp: 25 ° C.	(1) ACD
Koc	57400	pH 4; Temp: 25 ° C.	(1) ACD
Koc	94500	pH 5; Temp: 25 ° C.	(1) ACD
Koc	1,00 x 105	pH 6; Temp: 25 ° C.	(1) ACD
Koc	1,00 x 105	pH 7; Temp: 25 ° C.	(1) ACD
Koc	98200	pH 8; Temp: 25 ° C.	(1) ACD
Koc	79700	pH 9; Temp: 25 ° C.	(1) ACD
Koc	28200	pH 10; Temp: 25 ° C.	(1) ACD

Milik	Nilai	Kondisi	Sumber
logd	2.76	pH 1; Temp: 25 ° C.	(1) ACD
logd	3.79	pH 2; Temp: 25 ° C.	(1) ACD
logd	5.43	pH 3; Temp: 25 ° C.	(1) ACD
logd	6.42	pH 4; Temp: 25 ° C.	(1) ACD
logd	6.64	pH 5; Temp: 25 ° C.	(1) ACD
logd	6.66	pH 6; Temp: 25 ° C.	(1) ACD
logd	6.66	pH 7; Temp: 25 ° C.	(1) ACD
logd	6.65	pH 8; Temp: 25 ° C.	(1) ACD
logd	6.56	pH 9; Temp: 25 ° C.	(1) ACD
logd	6.11	pH 10; Temp: 25 ° C.	(1) ACD
logp	6.666 ± 0,764	Temp: 25 ° C.	(1) ACD
Kelarutan intrinsik massa	4,5 x 10-5 g/L	Temp: 25 ° C.	(1) ACD
Kelarutan massal	0,36 g/l	pH 1; Temp: 25 ° C.	(1) ACD
Kelarutan massal	0,035 g/l	pH 2; Temp: 25 ° C.	(1) ACD
Kelarutan massal	7,90 x 10-4 g/L	pH 3; Temp: 25 ° C.	(1) ACD
Kelarutan massal	7,9 x 10-5 g/L	pH 4; Temp: 25 ° C.	(1) ACD
Kelarutan massal	4,8 x 10-5 g/L	pH 5; Temp: 25 ° C.	(1) ACD
Kelarutan massal	4.6 x 10-5 g/L	pH 6; Temp: 25 ° C.	(1) ACD
Kelarutan massal	4.6 x 10-5 g/L	pH 7; Temp: 25 ° C.	(1) ACD
Kelarutan massal	4,7 x 10-5 g/l	pH 8; Temp: 25 ° C.	(1) ACD
Kelarutan massal	5.7 x 10-5 g/l	pH 9; Temp: 25 ° C.	(1) ACD
Kelarutan massal	1,6 x 10-4 g/L	pH 10; Temp: 25 ° C.	(1) ACD
Kelarutan massal	4.6 x 10-5 g/L	Air PH 7.00 yang tidak terikat; Temp: 25 ° C.	(1) ACD
Kelarutan intrinsik molar	5,7 x 10-8 mol/L	Temp: 25 ° C.	(1) ACD
Kelarutan molar	4,6 x 10-4 mol/L	pH 1; Temp: 25 ° C.	(1) ACD
Kelarutan molar	4.4 x 10-5 mol/L	pH 2; Temp: 25 ° C.	(1) ACD
Kelarutan molar	1,00 x 10-6 mol/L	pH 3; Temp: 25 ° C.	(1) ACD
Kelarutan molar	1,0 x 10-7 mol/L	pH 4; Temp: 25 ° C.	(1) ACD
Kelarutan molar	6.1 x 10-8 mol/L	pH 5; Temp: 25 ° C.	(1) ACD
Kelarutan molar	5,8 x 10-8 mol/L	pH 6; Temp: 25 ° C.	(1) ACD
Kelarutan molar	5,8 x 10-8 mol/L	pH 7; Temp: 25 ° C.	(1) ACD
Kelarutan molar	5,9 x 10-8 mol/L	pH 8; Temp: 25 ° C.	(1) ACD

Milik	Nilai	Kondisi	Sumber
Kelarutan molar	7.2 x 10-8 mol/L	pH 9; Temp: 25 ° C.	(1) ACD
Kelarutan molar	2.0 x 10-7 mol/L	pH 10; Temp: 25 ° C.	(1) ACD
Kelarutan molar	5,8 x 10-8 mol/L	Air PH 7.00 yang tidak terikat; Temp: 25 ° C.	(1) ACD
Berat molekul	789.83
PKA	10.11 ± 0,20	Sebagian besar suhu asam: 25 ° C	(1) ACD
PKA	3,57 ± 0,20	Paling Basa Temp: 25 ° C	(1) ACD