O-Methylganciclovir - CAS 108436-45-9

Catalog:	BB059996
Product Name:	O-Methylganciclovir
CAS:	108436-45-9
Synonyms:	2-Amino-1,9-dihydro-9-[[2-hydroxy-1-(methoxymethyl)ethoxy]methyl]-6H-purin-6-one; 2-Amino-9-(((1-hydroxy-3-methoxypropan-2-yl)oxy)methyl)-3H-purin-6(9H)-one

Technical Data

IUPAC Name:	2-amino-9-[(1-hydroxy-3-methoxypropan-2-yl)oxymethyl]-1H-purin-6-one
Description:	O-Methylganciclovir is an analogue of Ganciclovir (G235000) and displays excellent antiviral activity when tested in vivo against herpes simplex virus type 1 infection in mice.
Molecular Weight:	269.26
Molecular Formula:	C10H15N5O4
Canonical SMILES:	COCC(CO)OCN1C=NC2=C1N=C(NC2=O)N
InChI:	InChI=1S/C10H15N5O4/c1-18-3-6(2-16)19-5-15-4-12-7-8(15)13-10(11)14-9(7)17/h4,6,16H,2-3,5H2,1H3,(H3,11,13,14,17)
InChI Key:	CVWDOLKVWKFQDM-UHFFFAOYSA-N
References:	Winkelmann, E., et. al. Arzneimittel-Forsch, 38, 1545 (1988).

Complexity:	364
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	269.11240398
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	269.11240398
Rotatable Bond Count:	6
Topological Polar Surface Area:	124Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-2