C11H16N6O4 Adenosine, 2-amino-2′ -O-methyl- (9CI, ACI)

Ulwazi Oluyisisekelo:

Thumela i-imeyili kithi

Imininingwane Yomkhiqizo

Omaka bomkhiqizo

Imininingwane Yezidakamizwa

Inombolo Yokubhalisa ye-CAS

80791-87-3

Izici Zomzimba Eziyinhloko	Inani	Isimo
Isisindo samangqamuzana	296.28	-
I-Melting Point (Eyokuhlola)	121-122 °C	I-solvent: I-Methanol
Iphoyinti lokubilisa (elibikezelwe)	733.2±70.0 °C	Cindezela: 760 Torr
Ukuminyana (Kubikezelwe)	1.98±0.1 g/cm3	Izinga lokushisa: 20 °C; Cindezela: 760 Torr
pKa (Kubikezelwe)	13.12±0.70	Izinga Le-Acidic Elikhulu: 25 °C

Amanye Amagama Nezihlonzi

I-Canonical SMILES

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

I-Isomeric SMILES

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

I-InChI

I-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

Ukhiye we-InchI

JLWUWXCKSOIFPS-KQYNXXCUSA-N

2 Amanye Amagama Alesi Sitho

2-Amino-2′ -O-methyladenosine (ACI); 2′-O-Methyl-2,6-diaminopurine riboside
Izakhiwo ezitholakalayo
Okushisayo

Okushisayo

Impahla	Inani	Isimo	Umthombo
I-Melting Point	121-122 °C	I-solvent: I-Methanol	(1) I-CAS

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

I-Spectra yokuhlola

I-Spectra iyatholakala
I-UV futhi Iyabonakala

Izakhiwo Ezibikezelwe

Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
Ukuminyana
Lipinski
Okuhlobene Nesakhiwo
Okushisayo

I-Biological

Impahla	Inani	Isimo	Umthombo
I-Bioconcentration Factor	1.0	i-pH 1; Izinga lokushisa: 25 °C	(1) ACD
I-Bioconcentration Factor	1.0	pH 2; Izinga lokushisa: 25 °C	(1) ACD
I-Bioconcentration Factor	1.0	i-pH 3; Izinga lokushisa: 25 °C	(1) ACD
I-Bioconcentration Factor	1.0	i-pH 4; Izinga lokushisa: 25 °C	(1) ACD
I-Bioconcentration Factor	1.0	pH 5; Izinga lokushisa: 25 °C	(1) ACD
I-Bioconcentration Factor	1.0	pH 6; Izinga lokushisa: 25 °C	(1) ACD
I-Bioconcentration Factor	1.0	pH 7; Izinga lokushisa: 25 °C	(1) ACD
I-Bioconcentration Factor	1.0	pH 8; Izinga lokushisa: 25 °C	(1) ACD
I-Bioconcentration Factor	1.0	pH 9; Izinga lokushisa: 25 °C	(1) ACD
I-Bioconcentration Factor	1.0	pH 10; Izinga lokushisa: 25 °C	(1) ACD

Umthombo Wesimo Sendawo Yenani

I-Koc 1.0 pH 1; Izinga lokushisa: 25 °C (1) ACD

I-Koc 1.0 pH 2; Izinga lokushisa: 25 °C (1) ACD

I-Koc 1.0 pH 3; Izinga lokushisa: 25 °C (1) ACD

I-Koc 1.21 pH 4; Izinga lokushisa: 25 °C (1) ACD

I-Koc 6.90 pH 5; Izinga lokushisa: 25 °C (1) ACD

I-Koc 13.5 pH 6; Izinga lokushisa: 25 °C (1) ACD

I-Koc 14.9 pH 7; Izinga lokushisa: 25 °C (1) ACD

I-Koc 15.1 pH 8; Izinga lokushisa: 25 °C (1) ACD

I-Koc 15.1 pH 9; Izinga lokushisa: 25 °C (1) ACD

I-Koc 15.1 pH 10; Izinga lokushisa: 25 °C (1) ACD

logD -2.85 pH 1; Izinga lokushisa: 25 °C (1) ACD

logD -2.76 pH 2; Izinga lokushisa: 25 °C (1) ACD

logD -2.31 pH 3; Izinga lokushisa: 25 °C (1) ACD

logD -1.46 pH 4; Izinga lokushisa: 25 °C (1) ACD

logD -0.70 pH 5; Izinga lokushisa: 25 °C (1) ACD

logD -0.41 pH 6; Izinga lokushisa: 25 °C (1) ACD

logD -0.37 pH 7; Izinga lokushisa: 25 °C (1) ACD

logD -0.36 pH 8; Izinga lokushisa: 25 °C (1) ACD

logD -0.36 pH 9; Izinga lokushisa: 25 °C (1) ACD

logD -0.36 pH 10; Izinga lokushisa: 25 °C (1) ACD

logP -0.363±0.611 ITemp: 25 °C (1) ACD

I-Mas Intrinsic Solubility 1.6 g/L ITemp: 25 °C (1) ACD

I-Massa Solubility 504 g/L pH 1; Izinga lokushisa: 25 °C (1) ACD

I-Massa Solubility 409 g/L pH 2; Izinga lokushisa: 25 °C (1) ACD

I-Massa Solubility 140 g/L pH 3; Izinga lokushisa: 25 °C (1) ACD

I-Massa Solubility 20 g/L pH 4; Izinga lokushisa: 25 °C (1) ACD

I-Massa Solubility 3.6 g/L pH 5; Izinga lokushisa: 25 °C (1) ACD

I-Massa Solubility 1.8 g/L pH 6; Izinga lokushisa: 25 °C (1) ACD

I-Massa Solubility 1.7 g/L pH 7; Izinga lokushisa: 25 °C (1) ACD

I-Massa Solubility 1.6 g/L pH 8; Izinga lokushisa: 25 °C (1) ACD

I-Massa Solubility 1.6 g/L pH 9; Izinga lokushisa: 25 °C (1) ACD

I-Massa Solubility 1.6 g/L pH 10; Izinga lokushisa: 25 °C (1) ACD

Ukuminyana

Impahla	Inani	Isimo	Umthombo
Ukuminyana	1.98±0.1 g/cm3	Izinga lokushisa: 20 °C; Cindezela: 760 Torr	(1) ACD
Ivolumu ye-Molar	149.3±7.0 cm3/mol	Izinga lokushisa: 20 °C; Cindezela: 760 Torr	(1) ACD

Lipinski

Impahla	Inani	Isimo	Umthombo
Amabhondi Ashintshashintshayo Ngokukhululekile	5		(1) ACD
H Abamukelayo	10		(1) ACD
H Abanikeli	6		(1) ACD
H Isamba Somnikeli/Umamukeli	16		(1) ACD
logP	-0.363±0.611	Izinga lokushisa: 25 °C	(1) ACD
Isisindo samangqamuzana	296.28