C45H56N7O9P guanosine, 5 ′ -O- [BIS (4-methoxyphenyl) phenylmethyl] -2 ′ -o-metil-n- (2-metil-1-oxopropyl)-, 3 ′-[2-cyanoethyl N, n-bis (1-methylethyl) pho-cyanoethyl N, N-BIS (1-methylethyl) pho-cyanoethyl N, N-BIS (1-methylethyl) (2-cyanoethyl N, N-BIS (1-methylethyl) (2-Cyanoethyl N, N-BIS (1-methylethyl) (2-Cyanoethyl N, N-BIS (1-methylethyl) (2-MethyLlethyl)

C45H56N7O9P guanosine, 5 ′ -O- [BIS (4-methoxyphenyl) phenylmethyl] -2 ′ -o-metil- N- (2-metil-1-oksopropil)-, 3 ′-[2-cyanoethyl N, N-Bis (1-methylethyl) phoCioethyl N, N, N-BIS (1-methylethyl) (2-cyanoethyl N, N-BIS (1-methylethyl) (2-cyanoethyl N, N-Bis (1-methylethyl) (2-cyanoethyl N, N-BIS (1-methylethyl) (2-Cyanoethyl N (1-Methylethyl) (2-methylethyl)

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Detail Produk

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Detail Substansi

Nomor Registri CAS

150780-67-9

H303

Sifat fisik utama	Nilai	Kondisi
Berat molekul	869.94	-
pKa (diprediksi)	9,16 ± 0,20	Sebagian besar suhu asam: 25 ° C

Nama dan pengenal lainnya

N#CCCOP (OC1C (OC (N2C = NC = 3C (= O) N = C (NC (= O) C (C) C) NC32) C1OC) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (C1) C = C = C) (C) C6 = C6 = CC = C (C (CC = C6) C6) c

Senyum isomer

C (OC [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (oc) [c @@ h] (o1) n2c3 = c (n = C2) C (= O) n = C (nc (c (c (c) c) = O) (C4) (C4 = C (C (C (C (C) C) = O) (C2) (C4 = C (CC (C (C (C (C) C) = O) (C2) (C4 = C (CC (C (C (C (C) C) = O) (C2 C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6

Inci

InChI= 1S/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9)38(61-62(59-25-13-24-

46) 52 (29 (3) 4) 30 (5) 6) 36 (60-43) 26-58-45 (31-14-11-12-15-15-31,32-16-20-34 (55-7) 21-17-32) 33-18-22-35 (56-8) 23-19-33/HI10) (56-8) 23-19-33/Hi0 -30,36,38-39,43H, 13,25-26H2,1-9H3, (H2,48,49,50,53,54)/T36-, 38-, 39-, 43-, 62?/M1/S1

Kunci Inchi

Irrdhrzuoznwdj-mlldkzsosa-n

1 nama lain untuk zat ini

Guanosine, 5 ′ -O-[BIS (4-methoxyphenyl) phenylmethyl] -2 ′-O-methyl-N-(2-metil-1-oxopropyl)-, 3 ′-[2-cyanoethyl bis (1-methylethyl) fosforamidit] (9ci)

Spektrum eksperimental

Spektrum tersedia
13 C NMR
Hetero NMR

Prediksi Properties

Properti tersedia
Biologis
Kimia
Lipinski
Terkait struktur

Biologis

Milik	Nilai	Kondisi	Sumber
Faktor biokonsentrasi	183	pH 1; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	3890	pH 2; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	35500	pH 3; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	1.08 x 105	pH 4; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	1.36 x 105	pH 5; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	1.39 x 105	pH 6; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	1.38 x 105	pH 7; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	1.24 x 105	pH 8; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	63600	pH 9; Temp: 25 ° C.	(1) ACD
Faktor biokonsentrasi	11900	pH 10; Temp: 25 ° C.	(1) ACD

Kimia

Milik	Nilai	Kondisi	Sumber
Koc	220	pH 1; Temp: 25 ° C.	(1) ACD
Koc	4680	pH 2; Temp: 25 ° C.	(1) ACD
Koc	42600	pH 3; Temp: 25 ° C.	(1) ACD
Koc	1,30 x 105	pH 4; Temp: 25 ° C.	(1) ACD
Koc	1.63 x 105	pH 5; Temp: 25 ° C.	(1) ACD
Koc	1.67 x 105	pH 6; Temp: 25 ° C.	(1) ACD
Koc	1.65 x 105	pH 7; Temp: 25 ° C.	(1) ACD
Koc	1.49 x 105	pH 8; Temp: 25 ° C.	(1) ACD

Milik	Nilai	Kondisi	Sumber
Koc	76400	pH 9; Temp: 25 ° C.	(1) ACD
Koc	14200	pH 10; Temp: 25 ° C.	(1) ACD
logd	4.19	pH 1; Temp: 25 ° C.	(1) ACD
logd	5.52	pH 2; Temp: 25 ° C.	(1) ACD
logd	6.48	pH 3; Temp: 25 ° C.	(1) ACD
logd	6.96	pH 4; Temp: 25 ° C.	(1) ACD
logd	7.06	pH 5; Temp: 25 ° C.	(1) ACD
logd	7.07	pH 6; Temp: 25 ° C.	(1) ACD
logd	7.07	pH 7; Temp: 25 ° C.	(1) ACD
logd	7.02	pH 8; Temp: 25 ° C.	(1) ACD
logd	6.73	pH 9; Temp: 25 ° C.	(1) ACD
logd	6.00	pH 10; Temp: 25 ° C.	(1) ACD
logp	7.072 ± 0.721	Temp: 25 ° C.	(1) ACD
Kelarutan intrinsik massa	1.2 x 10-4 g/L	Temp: 25 ° C.	(1) ACD
Kelarutan massal	0,096 g/l	pH 1; Temp: 25 ° C.	(1) ACD
Kelarutan massal	4.3 x 10-3 g/l	pH 2; Temp: 25 ° C.	(1) ACD
Kelarutan massal	4,8 x 10-4 g/l	pH 3; Temp: 25 ° C.	(1) ACD
Kelarutan massal	1,6 x 10-4 g/L	pH 4; Temp: 25 ° C.	(1) ACD
Kelarutan massal	1.2 x 10-4 g/L	pH 5; Temp: 25 ° C.	(1) ACD
Kelarutan massal	1.2 x 10-4 g/L	pH 6; Temp: 25 ° C.	(1) ACD
Kelarutan massal	1.2 x 10-4 g/L	pH 7; Temp: 25 ° C.	(1) ACD
Kelarutan massal	1.4 x 10-4 g/L	pH 8; Temp: 25 ° C.	(1) ACD
Kelarutan massal	2,7 x 10-4 g/L	pH 9; Temp: 25 ° C.	(1) ACD
Kelarutan massal	1.4 x 10-3 g/L	pH 10; Temp: 25 ° C.	(1) ACD
Kelarutan massal	1.2 x 10-4 g/L	Air PH 7.00 yang tidak terikat; Temp: 25 ° C.	(1) ACD
Kelarutan intrinsik molar	1,4 x 10-7 mol/L	Temp: 25 ° C.	(1) ACD
Kelarutan molar	1.1 x 10-4 mol/L	pH 1; Temp: 25 ° C.	(1) ACD
Kelarutan molar	5.0 x 10-6 mol/L	pH 2; Temp: 25 ° C.	(1) ACD
Kelarutan molar	5,5 x 10-7 mol/L	pH 3; Temp: 25 ° C.	(1) ACD
Kelarutan molar	1,8 x 10-7 mol/L	pH 4; Temp: 25 ° C.	(1) ACD
Kelarutan molar	1,4 x 10-7 mol/L	pH 5; Temp: 25 ° C.	(1) ACD
Kelarutan molar	1,4 x 10-7 mol/L	pH 6; Temp: 25 ° C.	(1) ACD

Milik	Nilai	Kondisi	Sumber
Kelarutan molar	1,4 x 10-7 mol/L	pH 7; Temp: 25 ° C.	(1) ACD
Kelarutan molar	1,6 x 10-7 mol/L	pH 8; Temp: 25 ° C.	(1) ACD
Kelarutan molar	3.1 x 10-7 mol/L	pH 9; Temp: 25 ° C.	(1) ACD
Kelarutan molar	1,6 x 10-6 mol/L	pH 10; Temp: 25 ° C.	(1) ACD
Kelarutan molar	1,4 x 10-7 mol/L	Air PH 7.00 yang tidak terikat; Temp: 25 ° C.	(1) ACD
Berat molekul	869.94
PKA	9,16 ± 0,20	Sebagian besar suhu asam: 25 ° C	(1) ACD
PKA	3,45 ± 0,70	Paling Basa Temp: 25 ° C	(1) ACD

Lipinski

Milik	Nilai	Kondisi	Sumber
Ikatan yang dapat diputar secara bebas	19		(1) ACD
H akseptor	16		(1) ACD
H donor	2		(1) ACD
H donor/jumlah akseptor	18		(1) ACD
logp	7.072 ± 0.721	Temp: 25 ° C.	(1) ACD
Berat molekul	869.94