C11H16N6O4 Adenosine, 2-amino-2 ′ -o-methyl- (9ci, ACI)

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Detay Product

Tags pwodwi

Detay sibstans

Nimewo rejis CAS

80791-87-3

Kle pwopriyete fizik	Valè	Kondisyon
Pwa molekilè	296.28	-
Pwen k ap fonn (eksperimantal)	121-122 ° C	Sòlvan: methanol
Pwen bouyi (prevwa)	733.2 ± 70.0 ° C	Peze: 760 Torr
Dansite (prevwa)	1.98 ± 0.1 g/cm3	Tanperati: 20 ° C; Peze: 760 Torr
PKA (prevwa)	13.12 ± 0.70	Pifò asid tanperati: 25 ° C

Lòt non ak idantifyan

Souri kanonyal

OCC1OC (N2C = NC = 3C (= NC (= NC32) N) N) C (OC) C1O

Souri izomèr

O (C) [C@H] 1 [C@H] (N2C = 3C (N = C2) = C (N) N = C (N) N3) O [C@H] (CO) [C@H] 1O

Inchi

InChI= 1S/C11H16N6O4/c1-20-7-6(19)4(2-18)21-10(7)17-3-14-5-8(12)15-11(13)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H4,12,13,15,16) /t4-, 6-, 7-, 10-/m1/s1

Inchi kle

Jlwuwxcksoifps-kqynxxcusa-n

2 Lòt non pou sibstans sa a

2-amino-2 ′-O-Methyladenosine (ACI); 2 ′ -O-Methyl-2,6-diaminopurine riboside
Pwopriyete ki disponib
Tèmik

Tèmik

Posesyon	Valè	Kondisyon	Sous
Pwen k ap fonn	121-122 ° C	Sòlvan: methanol	(1) Cas

(1) Kore, Anilkumar R.; Nucleosides, nukleotid ak asid nikleyik, (2006), 25 (3), 307-314, Caplus

Espèk eksperimantal

Spèktr ki disponib
UV ak vizib

Prevwa pwopriyete

Pwopriyete ki disponib
Biolojik
Chimik
Densite
Lipinski
Estrikti ki gen rapò
Tèmik

Biolojik

Posesyon	Valè	Kondisyon	Sous
Faktè bioconcentration	1.0	Ph 1; Tan: 25 ° C	(1) ACD
Faktè bioconcentration	1.0	pH 2; Tan: 25 ° C	(1) ACD
Faktè bioconcentration	1.0	pH 3; Tan: 25 ° C	(1) ACD
Faktè bioconcentration	1.0	pH 4; Tan: 25 ° C	(1) ACD
Faktè bioconcentration	1.0	pH 5; Tan: 25 ° C	(1) ACD
Faktè bioconcentration	1.0	pH 6; Tan: 25 ° C	(1) ACD
Faktè bioconcentration	1.0	pH 7; Tan: 25 ° C	(1) ACD
Faktè bioconcentration	1.0	pH 8; Tan: 25 ° C	(1) ACD
Faktè bioconcentration	1.0	pH 9; Tan: 25 ° C	(1) ACD
Faktè bioconcentration	1.0	pH 10; Tan: 25 ° C	(1) ACD

Valè pwopriyete kondisyon sous

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

Mas intrinsèques solubility 1.6 g/l temp: 25 ° C (1) ACD

Mas solubility 504 g/l pH 1; Temp: 25 ° C (1) ACD

Mas solubility 409 g/l pH 2; Temp: 25 ° C (1) ACD

Mas solubility 140 g/l pH 3; Temp: 25 ° C (1) ACD

Mas solubility 20 g/l pH 4; Temp: 25 ° C (1) ACD

Mas solubility 3.6 g/l pH 5; Temp: 25 ° C (1) ACD

Mas solubility 1.8 g/l pH 6; Temp: 25 ° C (1) ACD

Mas solubility 1.7 g/l pH 7; Temp: 25 ° C (1) ACD

Mas solubility 1.6 g/l pH 8; Temp: 25 ° C (1) ACD

Mas solubility 1.6 g/l pH 9; Temp: 25 ° C (1) ACD

Mas solubility 1.6 g/l pH 10; Temp: 25 ° C (1) ACD

Densite

Posesyon	Valè	Kondisyon	Sous
Densite	1.98 ± 0.1 g/cm3	Tanperati: 20 ° C; Peze: 760 Torr	(1) ACD
Volim molè	149.3 ± 7.0 cm3/mol	Tanperati: 20 ° C; Peze: 760 Torr	(1) ACD

Lipinski

Posesyon	Valè	Kondisyon	Sous
Lib lib wotasyon	5		(1) ACD
H akseptab	10		(1) ACD
H donatè	6		(1) ACD
H donatè/aksepte sòm	16		(1) ACD
logp	-0.363 ± 0.611	Tan: 25 ° C	(1) ACD
Pwa molekilè	296.28