AG002349

1818-71-9 | Adenosine, 2,3-dihydro-2-oxo-

AG002349

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CAS Number	1818-71-9
Catalog Number	AG002349(AGN-PC-0O55F5)
Chemical Name	Adenosine, 2,3-dihydro-2-oxo-
IUPAC Name	6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
InChI	InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
InChI Key	MIKUYHXYGGJMLM-UUOKFMHZSA-N
MDL Number	MFCD01863406
Molecular Formula	C10H13N5O5
Molecular Weight	283.2407
SMILES	NC1=C2N=CN(C2=NC(=N1)O)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Synonyms	2'-deoxyisoguanosine, isoguanosine, 2-Hydroxyadenosine, Crotonoside, Isoguanosine, 1818-71-9, Crotonosid, Isoguanine riboside, Adenosine, 1,2-dihydro-2-oxo-, 1,2-Dihydro-2-oxoadenosine, Isoguanosine (7CI,8CI), Isoguanine, 9-beta-D-ribofuranosyl-, NSC 12161, CHEBI:3927, 9H-Purin-2-ol, 6-amino-9-beta-D-ribofuranosyl-, 6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-2-one, Isoguanosin, CCRIS 8240, isoguanineriboside, Isoguanine, 9-.beta.-D-ribofuranosyl-, Isoguanosine (VAN), 2-Oxo-3-hydroadenosine, 2-Oxoado (isoguanosine), 1,2-dihydro-2-oxo-adenosin, Isoguanosine (VAN) (8CI), AC1L22K4, SCHEMBL2773634, CHEMBL1688963, 9-(b-D-Ribofuranosyl)isoguanine, BDBM82031, Crotonoside, >=95% (HPLC), 6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one, MIKUYHXYGGJMLM-UUOKFMHZSA-N, ZINC4082270, MFCD04971989, PDSP1_000998, PDSP2_000982, AKOS015969770, AJ-47906, AN-49933, LS-15130, CAS_1818-71-9, AX8075755, DB-006158, FT-0600136, N2443, Y0057, 6-amino-9-beta-d-ribofuranosyl-9h-purin-2-o, C08432, 9-beta- D -Ribofuranosylisoguanine; Crotonoside, 6-Amino-9-beta- D -ribofuranosyl-9 H -purin-2(1 H )-one, 6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,9-dihydro-2H-purin-2-one, 6-amino-9-((2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-3H-purin-2(9H)-one;9-?-D-Ribofuranosylisoguanine, D0Y2RM, C10H13N5O5, CID65085, C10-H13-N5-O5, ACN-035279, Crotonoside, 98%, from Croton tiglium L. - 5MG 5mg,

Complexity	544
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	283.092g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	283.244g/mol
Monoisotopic Mass	283.092g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	153A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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