C41H49FN5O8p cytidine, N-acetyl-5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2 '-fluoro-, 3'-[2-cyanoethyl N, N-en-bis (1-metiletil) fosfor (1-metiletil) fosfor (1-metiletil)

C41H49FN5O8P cytidine, N-acetyl-5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2 '-fluoro-, 3'-[2-cyanoethyl N, N-en-en-en-(1-metiletil)

Maklumat asas:

Perincian produk

Tag produk

Perincian bahan

Nombor pendaftaran CAS

159414-99-0

Sifat fizikal utama	Nilai	Keadaan
Berat molekul	789.83	-
PKA (diramalkan)	10.11 ± 0.20	Tempatan yang paling berasid: 25 ° C

Nama dan pengenal lain

Senyuman 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)

Tersenyum isomerik

C (OC [c @@ h] 1 [c @@ h] (op (n (c) c) c (c) c) occc#n) [c @@ h] (f) [c @@ h] (o1) n2c (= o) n = c (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) 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/H8-10,12-22,24,27-28,35-39h, 44,45,48,49)/T35-, 37-, 38-, 39-, 56?/M1/S1

Kunci Inchi

CNFKJHKDSRXNFL-UTXREMQHSA-N

1 nama lain untuk bahan ini

Cytidine,N-Acetyl -5 ' -O-[BIS (4-methoxyphenyl) phenylmethyl] -2 '-deoxy-2' -fluoro-, 3 '-[2-cyanoethyl bis (1-methylethyl) phosphor] (9CI)
Spektrum tersedia
Massa

Sifat yang diramalkan

Hartanah tersedia
Biologi
Kimia
Lipinski
Struktur berkaitan

Biologi

Harta	Nilai	Keadaan	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

Harta	Nilai	Keadaan	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

Harta	Nilai	Keadaan	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 Massa	0.36 g/l	pH 1; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	0.035 g/l	pH 2; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	7.90 x 10-4 g/l	pH 3; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	7.9 x 10-5 g/l	pH 4; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	4.8 x 10-5 g/l	pH 5; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	4.6 x 10-5 g/l	pH 6; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	4.6 x 10-5 g/l	pH 7; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	4.7 x 10-5 g/l	pH 8; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	5.7 x 10-5 g/l	pH 9; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	1.6 x 10-4 g/l	pH 10; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	4.6 x 10-5 g/l	Air yang tidak disengajakan pH 7.00; 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

Harta	Nilai	Keadaan	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 yang tidak disengajakan pH 7.00; Temp: 25 ° C.	(1) ACD
Berat molekul	789.83
PKA	10.11 ± 0.20	Tempatan yang paling berasid: 25 ° C	(1) ACD
PKA	3.57 ± 0.20	Tempatan paling asas: 25 ° C	(1) ACD