Adenosine C13H19N5O, 2 '-o- (2-METEXYETHYL) - (9CI, ACI) Gambar

C13H19N5O5 adenosine, 2 '-o- (2-metexyethyl) - (9CI, ACI)

Informasi dhasar:

Detail Produk

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Rincian bahan

Nomer Registri CAS

168427-74-5

Properties fisik Key	Regane	Kondisi
Bobot molekuler	325.32	-
Titik Giling (diprediksi)	639.0 ± 65.0 ° C	Pencet: 760 torr
Kapadhetan (diprediksi)	1.70 ± 0,1 g / cm3	Temp: 20 ° C; Pencet: 760 torr
Pka (diprediksi)	13.12 ± 070	Temp paling asam: 25 ° C

Jeneng lan Identifikasi Liyane

Mesem kanonik

Occ1OC (N2C = NC = 3C (= nc = nc32) n) c (occoc) c1o

Mesem isomerat

O (ccoc) [C @ h] 1 [c @@ h] (o [c @ h] (n = c2) = c (n) n = cn3

INCI

Kopi = 1s / c13h19n5o5 / C1-21--3--3--3--3--3--3-22-10-9 (20) 7 (4-19) 23-13-17,9-10,13,19,29-29,19,19,19,19,9,19,19,19,19,19,19,9,19,9,19,19,29-29,19,19,19,29,19,19,9,19,9,19,19,19-29,19,19,29,19,19,19,19,19,19,19,19,29,13,19,29-29,19,19,19,29,19,19,19,19,19,19-20,19-10h3, (H2,14,15,16) / t7-, 9-, 10-, 13- / m1 / s1

Kunci inci

Pudxujrjlrllie-qyvstxnmsa-n

1 Jeneng liyane kanggo zat iki

2 '-O- (2-METOXYECHYL) adenosine (ACI)

Spektrum kasedhiya
1 h nmr
13 c nmr

Properti sing diramalake

Properties kasedhiya
Biologis
Kimia
Kapadhetan
Lipinski
Struktur sing gegandhengan
Termal

Biologis

Properti	Regane	Kondisi	Sumber
Faktor biokentrasi	1.0	PH 1; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.0	PH 2; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.0	PH 3; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.0	pH 4; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.18	pH 5; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.31	pH 6; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.32	pH 7; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.32	PH 8; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.32	PH 9; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.32	PH 10; Temp: 25 ° C	(1) ACD

Kimia

Properti	Regane	Kondisi	Sumber
Koc	1.0	PH 1; Temp: 25 ° C	(1) ACD
Koc	1.0	PH 2; Temp: 25 ° C	(1) ACD
Koc	3.39	PH 3; Temp: 25 ° C	(1) ACD
Koc	19.4	pH 4; Temp: 25 ° C	(1) ACD
Koc	38.0	pH 5; Temp: 25 ° C	(1) ACD
Koc	42.0	pH 6; Temp: 25 ° C	(1) ACD
Koc	42.5	pH 7; Temp: 25 ° C	(1) ACD

Properti	Regane	Kondisi	Sumber
Koc	42.5	PH 8; Temp: 25 ° C	(1) ACD
Koc	42.5	PH 9; Temp: 25 ° C	(1) ACD
Koc	42.5	PH 10; Temp: 25 ° C	(1) ACD
logd	-1.94	PH 1; Temp: 25 ° C	(1) ACD
logd	-1.48	PH 2; Temp: 25 ° C	(1) ACD
logd	-0.64	PH 3; Temp: 25 ° C	(1) ACD
logd	0.12	pH 4; Temp: 25 ° C	(1) ACD
logd	0.41	pH 5; Temp: 25 ° C	(1) ACD
logd	0.46	pH 6; Temp: 25 ° C	(1) ACD
logd	0.46	pH 7; Temp: 25 ° C	(1) ACD
logd	0.46	PH 8; Temp: 25 ° C	(1) ACD
logd	0.46	PH 9; Temp: 25 ° C	(1) ACD
logd	0.46	PH 10; Temp: 25 ° C	(1) ACD
logp	0.462 ± 0.647	Temp: 25 ° C	(1) ACD
Kelarutan Kelainan Intrinsik Massa	4.2 g / l	Temp: 25 ° C	(1) ACD
Kelarutan massa	999 g / l	PH 1; Temp: 25 ° C	(1) ACD
Kelarutan massa	381 g / l	PH 2; Temp: 25 ° C	(1) ACD
Kelarutan massa	55 g / l	PH 3; Temp: 25 ° C	(1) ACD
Kelarutan massa	9.4 g / l	pH 4; Temp: 25 ° C	(1) ACD
Kelarutan massa	4.9 g / l	pH 5; Temp: 25 ° C	(1) ACD
Kelarutan massa	4.2 g / l	pH 6; Temp: 25 ° C	(1) ACD
Kelarutan massa	4.2 g / l	pH 7; Temp: 25 ° C	(1) ACD
Kelarutan massa	4.2 g / l	PH 8; Temp: 25 ° C	(1) ACD
Kelarutan massa	4.2 g / l	PH 9; Temp: 25 ° C	(1) ACD
Kelarutan massa	4.2 g / l	PH 10; Temp: 25 ° C	(1) ACD
Kelarutan massa	4.2 g / l	Banyu banyu sing ora diluncurake 8.08; Temp: 25 ° C	(1) ACD
Kelarutan Kelaresan Inttrinsik Molar	0.013 mol / l	Temp: 25 ° C	(1) ACD
Kelarutan molar	3.07 mol / l	PH 1; Temp: 25 ° C	(1) ACD
Kelarutan molar	1.17 mol / l	PH 2; Temp: 25 ° C	(1) ACD
Kelarutan molar	0.17 mol / l	PH 3; Temp: 25 ° C	(1) ACD
Kelarutan molar	0,029 mol / l	pH 4; Temp: 25 ° C	(1) ACD
Kelarutan molar	0,015 mol / l	pH 5; Temp: 25 ° C	(1) ACD

Properti	Regane	Kondisi	Sumber
Kelarutan molar	0.013 mol / l	pH 6; Temp: 25 ° C	(1) ACD
Kelarutan molar	0.013 mol / l	pH 7; Temp: 25 ° C	(1) ACD
Kelarutan molar	0.013 mol / l	PH 8; Temp: 25 ° C	(1) ACD
Kelarutan molar	0.013 mol / l	PH 9; Temp: 25 ° C	(1) ACD
Kelarutan molar	0.013 mol / l	PH 10; Temp: 25 ° C	(1) ACD
Kelarutan molar	0.013 mol / l	Banyu banyu sing ora diluncurake 8.08; Temp: 25 ° C	(1) ACD
Bobot molekuler	325.32
PKA	13.12 ± 070	Temp paling asam: 25 ° C	(1) ACD
PKA	3.82 ± 0,10	Umume Temp: 25 ° C	(1) ACD
Meksa uap	3.35 x 10-17 Torr	Temp: 25 ° C	(1) ACD

Kapadhetan

Properti	Regane	Kondisi	Sumber
Kapadhetan	1.70 ± 0,1 g / cm3	Temp: 20 ° C; Pencet: 760 torr	(1) ACD
Jilid Molar	191.2 ± 7.0 cm3 / mol	Temp: 20 ° C; Pencet: 760 torr	(1) ACD

Lipinski

Properti	Regane	Kondisi	Sumber
Obligasi kanthi bebas	8		(1) ACD
H Nampa	10		(1) ACD
H donor	4		(1) ACD
H Donor / Sumrah Panampa	14		(1) ACD
logp	0.462 ± 0.647	Temp: 25 ° C	(1) ACD
Bobot molekuler	325.32

Struktur sing gegandhengan

Properti	Regane	Sumber kahanan
Area permukaan polar	138 A2	(1) ACD

Properti	Regane	Kondisi	Sumber
Titik Giling	639.0 ± 65.0 ° C	Pencet: 760 torr	(1) ACD
Enthalpy saka Vaporization	99.17 ± 3.0 kJ / mol	Pencet: 760 torr	(1) ACD
Sligan Point	340.2 ± 34,3 ° C		(1) ACD