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

Pangunahing impormasyon:

Detalye ng produkto

Mga tag ng produkto

Detalye ng sangkap

Numero ng rehistro ng CAS

80791-87-3

Mga pangunahing katangian ng pisikal	Halaga	Kundisyon
Molekular na timbang	296.28	-
Natutunaw na punto (eksperimentong)	121-122 ° C.	Solvent: Methanol
Boiling point (hinulaang)	733.2 ± 70.0 ° C.	Pindutin: 760 Torr
Density (hinulaang)	1.98 ± 0.1 g/cm3	Temp: 20 ° C; Pindutin: 760 Torr
pka (hinulaang)	13.12 ± 0.70	Karamihan sa acidic temp: 25 ° C.

Iba pang mga pangalan at pagkakakilanlan

Canonical smiles

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

Ngumiti si Isomeric

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 key

JlwuWXCKSOIFPS-KQYNXXCUSA-N

2 Iba pang mga pangalan para sa sangkap na ito

2-amino-2 ′-O-methyladenosine (ACI); 2 ′ -O-Methyl-2,6-diaminopurine riboside
Magagamit ang mga pag -aari
Thermal

Thermal

Ari -arian	Halaga	Kundisyon	Pinagmulan
Natutunaw na punto	121-122 ° C.	Solvent: Methanol	(1) Cas

(1) Kore, Anilkumar R.; Nucleosides, Nucleotides & Nucleic Acids, (2006), 25 (3), 307-314, Caplus

Eksperimentong spectra

Magagamit ang spectra
UV at nakikita

Hinulaang mga pag -aari

Magagamit ang mga pag -aari
Biological
Kemikal
Density
Lipinski
May kaugnayan sa istraktura
Thermal

Biological

Ari -arian	Halaga	Kundisyon	Pinagmulan
Bioconcentration factor	1.0	pH 1; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 2; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 3; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 4; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 5; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 6; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 7; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 8; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 9; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 10; Temp: 25 ° C.	(1) ACD

Pinagmulan ng Halaga ng Kondisyon ng Pag -aari

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

Mass Intrinsic Solubility 1.6 g/L temp: 25 ° C (1) ACD

Mass Solubility 504 g/L pH 1; Temp: 25 ° C (1) ACD

Mass Solubility 409 g/L pH 2; Temp: 25 ° C (1) ACD

Mass Solubility 140 g/L pH 3; Temp: 25 ° C (1) ACD

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

Mass Solubility 3.6 g/L pH 5; Temp: 25 ° C (1) ACD

Mass Solubility 1.8 g/L pH 6; Temp: 25 ° C (1) ACD

Mass Solubility 1.7 g/L pH 7; Temp: 25 ° C (1) ACD

Mass Solubility 1.6 g/L pH 8; Temp: 25 ° C (1) ACD

Mass Solubility 1.6 g/L pH 9; Temp: 25 ° C (1) ACD

Mass Solubility 1.6 g/L pH 10; Temp: 25 ° C (1) ACD

Density

Ari -arian	Halaga	Kundisyon	Pinagmulan
Density	1.98 ± 0.1 g/cm3	Temp: 20 ° C; Pindutin: 760 Torr	(1) ACD
Dami ng molar	149.3 ± 7.0 cm3/mol	Temp: 20 ° C; Pindutin: 760 Torr	(1) ACD

Lipinski

Ari -arian	Halaga	Kundisyon	Pinagmulan
Malayang rotatable bond	5		(1) ACD
H Mga Tanggap	10		(1) ACD
H donor	6		(1) ACD
H Donor/Acceptor Sum	16		(1) ACD
Logp	-0.363 ± 0.611	Temp: 25 ° C.	(1) ACD
Molekular na timbang	296.28