AG005J8E

80791-87-3 | 2-Amino-2'-o-methyladenosine

AG005J8E

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CAS Number	80791-87-3
Catalog Number	AG005J8E(AGN-PC-0OIFST)
Chemical Name	2-Amino-2'-o-methyladenosine
IUPAC Name	(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
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
MDL Number	MFCD01630959
Molecular Formula	C11H16N6O4
Molecular Weight	296.2825
SMILES	OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C2N=C(N)N=C3N)O1)OC)O
Synonyms	80791-87-3, 2-AMINO-2'-O-METHYLADENOSINE, 2-Amino-2'-O-methyl-adenosine, 2'-O-METHYL-2,6-DIAMINOPURINE-RIBOSIDE, 2'-O-Methyl-2-aminoadenosine, MFCD01630959, (2R,3R,4R,5R)-5-(2,6-Diamino-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-ol, 2-Amino-N2-O-methyladenosine, SCHEMBL1527211, 2-NH2-2'-O-Me-A, CTK8D4200, DTXSID30432592, JLWUWXCKSOIFPS-KQYNXXCUSA-N, Adenosine, 2-amino-2'-O-methyl-, HG1391, ZINC34019039, AKOS015854658, 2?-O-Methyl-2,6-diaminopurine-riboside, AB0088102, TC-071343, J-700023, J-700079, 2,6-diamino-9-(2-O-methyl-beta-D-ribofuranosyl)purine, 2,6-Diamino-9- (2'-O-methyl-beta-D-ribofuranosyl)purine, 2,6-Diamino-9-(2' -O-methyl-beta-D-ribofuranosyl)purine, 2,6-diamino-9-(2'-O-methyl-beta-D-ribofuranosyl) purine, 2,6-Diamino-9-(2'-O-methyl-beta-D-ribofuranosyl)purine, (2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol, 3'-O-Methyl-2-AMino-adenosine, CID9900805, (2R,3S,4R,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-oxolan-3-ol,

Complexity	377
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	296.123g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	296.287g/mol
Monoisotopic Mass	296.123g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	155A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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