AG004G29

88110-89-8 | 9-[[2-(acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one

AG004G29

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CAS Number	88110-89-8
Catalog Number	AG004G29(AGN-PC-05J3B2)
Chemical Name	9-[[2-(acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one
EC Number	680-297-7
IUPAC Name	[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] acetate
InChI	InChI=1S/C11H15N5O5/c1-6(18)20-3-7(2-17)21-5-16-4-13-8-9(16)14-11(12)15-10(8)19/h4,7,17H,2-3,5H2,1H3,(H3,12,14,15,19)
InChI Key	YKLKCCHLLFMWQE-UHFFFAOYSA-N
MDL Number	MFCD09840659
Molecular Formula	C11H15N5O5
Molecular Weight	297.2673
SMILES	C(OC(COC(=O)C)CO)n1c2c(nc1)c(=O)[nH]c(n2)N
Synonyms	88110-89-8, Ganciclovir Mono-O-acetate, Mono-O-AcetylGanciclovir, [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] acetate, 2-[(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-3-acetoxy-1-propanol, Ganciclovir Monoacetate, 2-((2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy)-3-hydroxypropyl acetate, 2-[(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl acetate, monoacetyl ganciclovir, AC1LAOWM, ganciclovir monoacetate;, SCHEMBL5555694, SCHEMBL12660403, CTK8E5605, KS-00000TZN, DTXSID60333225, BCP09940, CS-M3368, EBD970766, AKOS025401637, API0000578, AC-23921, AK554569, DS-19642, SC-95535, FT-0668949, 9-<(1-acetoxy-2-hydroxymethyl)ethoxymethyl>guanine, 9-<(1-acetoxy-2-hydroxymethyl)ethoxymethyl>guanine;, 2-[(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methox, [2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxy-propyl] acetate, [2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] acetate, 2-(2-amino-1,6 dihydro-6-oxo-purine -9-yl)-methoxy-3 acetoxy-1-propanol;, 2-(2-amino-1,6 dihydro-6-oxo-purine-9-yl)-methoxy-3 acetoxy-1- propanol;, 2-(2-amino-1,6 dihydro-6-oxo-purine-9-yl)-methoxy-3 acetoxy-1-propanol;, 2-(2-amino-1,6-dihydro-6-oxo-purine-9-yl)-methoxy-3-acetoxy-1-propanol;, 6H-Purin-6-one, 9-[[2-(acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-, 9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro- 6H-Purin-6-on, 9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro- 6H-Purin-6-one, Valganciclovir, GanciclovirMono-O-acetate, Mono-O-acetateGanciclovir, AIDS121705, CID492440, EC 680-297-7, 9-[[2-(acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6h-purin-6-one, 2-((2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy)-3-hydroxypropyl acetate, 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl acetate,

Complexity	443
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	297.107g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	297.271g/mol
Monoisotopic Mass	297.107g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	141A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number