C11H16N6O4 adenosine, 2-amino-2 '-o-metil- (9CI, ACI)

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Rincian bahan

Nomer Registri CAS

80791-87-3

Properties fisik Key	Regane	Kondisi
Bobot molekuler	296,28	-
Lelting Point (Eksperimen)	121-122 ° C	Solvent: Metanol
Titik Giling (diprediksi)	733,2 ± 70.0 ° C	Pencet: 760 torr
Kapadhetan (diprediksi)	1.98 ± 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) n) n) c (oc) c1o

Mesem isomerat

O (c) [C @ h] 1 [C @ h] (n2c = 3c (n = c2) = c (n) n = c (n) n = c (n) n = c (n) N3)

INCI

Kopi = 1s / c11h16n6o4 / c1-20-7-6 (19) 4 (2-18) 21-111 (13) 17-19 (5) 17/11 (13) 17/11,1h3, (5-3,17,15,16 )13,15,16) / t4-, 6-, 7-, 10- / m1 / s1

Kunci inci

Jlwuwxcksops-kqynxxcusa-n

2 jeneng liya kanggo zat iki

2-amino-2 '-O-Methyladenosine (ACI); 2 '-O-Methyl-2,6-siaminopurine ribun
Properties kasedhiya
Termal

Termal

Properti	Regane	Kondisi	Sumber
Titik lebur	121-122 ° C	Solvent: Metanol	(1) cas

(1) Kore, Anilkumar R.; Nukleosida, nukléotida & asam nukleat, (2006), 25 (3), 307-314, caplus

Spektral Eksperimen

Spektrum kasedhiya
Uv lan katon

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	1.0	pH 5; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.0	pH 6; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.0	pH 7; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.0	PH 8; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.0	PH 9; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.0	PH 10; Temp: 25 ° C	(1) ACD

Sumber kondhisi properti

KOC 1.0 PH 1; Temp: 25 ° C (1) ACD

KOC 1.0 PH 2; Temp: 25 ° C (1) ACD

KOC 1.0 PH 3; Temp: 25 ° C (1) ACD

KOC 1.21 PH 4; Temp: 25 ° C (1) ACD

KOC 6.90 PH 5; Temp: 25 ° C (1) ACD

KOC 13.5 PH 6; Temp: 25 ° C (1) ACD

KOC 14.9 PH 7; Temp: 25 ° C (1) ACD

KOC 15.1 PH 8; Temp: 25 ° C (1) ACD

KOC 15.1 PH 9; Temp: 25 ° C (1) ACD

KOC 15.1 PH 10; Temp: 25 ° C (1) ACD

Logd -2.85 PH 1; Temp: 25 ° C (1) ACD

Logd -2.76 PH 2; Temp: 25 ° C (1) ACD

Logd -2.31 pH 3; Temp: 25 ° C (1) ACD

Logd -1.46 PH 4; Temp: 25 ° C (1) ACD

Logd -0.70 pH 5; Temp: 25 ° C (1) ACD

logd -0.41 ph 6; Temp: 25 ° C (1) ACD

Logd -0.37 PH 7; Temp: 25 ° C (1) ACD

Logd -0.36 PH 8; Temp: 25 ° C (1) ACD

Logd -0.36 PH 9; Temp: 25 ° C (1) ACD

Logd -0.36 PH 10; Temp: 25 ° C (1) ACD

Logp -0.363 ± 0,611 temp: 25 ° C (1) ACD

Kelarutan Intrinsik Massa 1.6 G / L Temp: 25 ° C (1) ACD

Kelarutan massa 504 g / l ph 1; Temp: 25 ° C (1) ACD

Kelarutan massa 409 g / l ph 2; Temp: 25 ° C (1) ACD

Kelarutan massa 140 g / l ph 3; Temp: 25 ° C (1) ACD

Kelarutan massa 20 g / l PH 4; Temp: 25 ° C (1) ACD

Kelarutan massa 3.6 g / l ph 5; Temp: 25 ° C (1) ACD

Kelarutan massa 1.8 g / l ph 6; Temp: 25 ° C (1) ACD

Kelarutan massa 1.7 g / L Ph 7; Temp: 25 ° C (1) ACD

Kelarutan massa 1.6 g / l PH 8; Temp: 25 ° C (1) ACD

Kelarutan massa 1.6 g / l ph 9; Temp: 25 ° C (1) ACD

Kelarutan massa 1.6 g / l ph 10; Temp: 25 ° C (1) ACD

Kapadhetan

Properti	Regane	Kondisi	Sumber
Kapadhetan	1.98 ± 0,1 g / cm3	Temp: 20 ° C; Pencet: 760 torr	(1) ACD
Jilid Molar	149,3 ± 7.0 cm3 / mol	Temp: 20 ° C; Pencet: 760 torr	(1) ACD

Lipinski

Properti	Regane	Kondisi	Sumber
Obligasi kanthi bebas	5		(1) ACD
H Nampa	10		(1) ACD
H donor	6		(1) ACD
H Donor / Sumrah Panampa	16		(1) ACD
logp	-0.363 ± 0.611	Temp: 25 ° C	(1) ACD
Bobot molekuler	296,28