C45h56n7o9p Guanosine, 5 '-o- [bis (4-meteizylyl) -2' - [2-metilyl-1-oxopropyl n, (1-Methylethyl) (ACI)

C45h56n7o9p Guanosine, 5 '-o- [bis (4-meteizylyl) -2'-methropyl n, (1-metilhtyl-1-oxopropyl n, (1-metelethyl) (ACI)

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Rincian bahan

Nomer Registri CAS

150780-67-9-9

H303

Properties fisik Key	Regane	Kondisi
Bobot molekuler	869.94	-
Pka (diprediksi)	9.16 ± 0,20	Temp paling asam: 25 ° C

Jeneng lan Identifikasi Liyane

N # cccop (oc1c (oc (oc = nc = nc = 3c (= o) n = c

Mesem isomerat

C (OC [C @@@ H] 1 [C @@ H] (c) N = C (c) n = c) (c4@ o) N3) (c4 = c4 = c (oc) C = C4) (C5 = cc = c (oc) c = c5) c5 = c5 = cc = cc = c6

INCI

Kopi = 1s / c45h56n7o9p / C1-28 (2) 4144-48-40-44) 47-247-51 (40) 43-3) 38 (61-62 (59-2) 38-2 (61-62)

46) 52 (29 (3) 4) 30 (5) 6) 36 (60-43) 26-58-4-13-12-15-10-12-132 (56-2) 23-19-33) 23-19-33 / H10-12,14-23,27 -30,36,3,3,38-39,43H, 13,25-26h2,1-9H3, (H2,48,49,49,509,509,54) / t36-, 38-, 39-, 62? / M1 / S1

Kunci inci

Irrdhrzuoznwdj-mlldkzsosa-n

1 Jeneng liyane kanggo zat iki

Guanosine, 5 '-O- [bis (4-meteixyphenht) phenylmethyl] -2 '-O-Methyl-N- (2-metil-1-oxopropyl) -, 3 '- [2-cyanoethyls BIS (1-Methylethyl) (9CI)

Spektral Eksperimen

Spektrum kasedhiya
13 c nmr
Hetero nmr

Properti sing diramalake

Properties kasedhiya
Biologis
Kimia
Lipinski
Struktur sing gegandhengan

Biologis

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

Kimia

Properti	Regane	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

Properti	Regane	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 Kelainan Intrinsik Massa	1.2 x 10-4 g / l	Temp: 25 ° C	(1) ACD
Kelarutan massa	0,096 g / l	PH 1; Temp: 25 ° C	(1) ACD
Kelarutan massa	4.3 x 10-3 g / l	PH 2; Temp: 25 ° C	(1) ACD
Kelarutan massa	4.8 x 10-4 g / l	PH 3; Temp: 25 ° C	(1) ACD
Kelarutan massa	1.6 x 10-4 g / l	pH 4; Temp: 25 ° C	(1) ACD
Kelarutan massa	1.2 x 10-4 g / l	pH 5; Temp: 25 ° C	(1) ACD
Kelarutan massa	1.2 x 10-4 g / l	pH 6; Temp: 25 ° C	(1) ACD
Kelarutan massa	1.2 x 10-4 g / l	pH 7; Temp: 25 ° C	(1) ACD
Kelarutan massa	1,4 x 10-4 g / l	PH 8; Temp: 25 ° C	(1) ACD
Kelarutan massa	2.7 x 10-4 g / l	PH 9; Temp: 25 ° C	(1) ACD
Kelarutan massa	1.4 x 10-3 g / l	PH 10; Temp: 25 ° C	(1) ACD
Kelarutan massa	1.2 x 10-4 g / l	Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C	(1) ACD
Kelarutan Kelaresan Inttrinsik 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

Properti	Regane	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	Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C	(1) ACD
Bobot molekuler	869.94
PKA	9.16 ± 0,20	Temp paling asam: 25 ° C	(1) ACD
PKA	3.45 ± 070	Umume Temp: 25 ° C	(1) ACD

Lipinski

Properti	Regane	Kondisi	Sumber
Obligasi kanthi bebas	19		(1) ACD
H Nampa	16		(1) ACD
H donor	2		(1) ACD
H Donor / Sumrah Panampa	18		(1) ACD
logp	7.072 ± 0,721	Temp: 25 ° C	(1) ACD
Bobot molekuler	869.94