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Valganciclovir Impurity 1

CAT: 1299-RM-V010701-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V010701-01Size:10 mg
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CAS Number
1202645-50-8
Synonyms
2-amino-9- (methoxymethyl) -1H-purin-6 (9H) -one
Molecular Formula
C7H9N5O2
Molecular Weight
195.18
Target Alternative Name
Valganciclovir
Product Name Synonym
2-amino-9- (methoxymethyl) -1H-purin-6 (9H) -one

Chemical Information

2-Amino-9-(methoxymethyl)-9H-purin-6-ol
CAS Number1202645-50-8
PubChem CID136034597
IUPAC Name2-amino-9-(methoxymethyl)-1H-purin-6-one
Molecular FormulaC7H9N5O2
Molecular Weight195.18
XLogP-1
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity279
SMILES
COCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C7H9N5O2/c1-14-3-12-2-9-4-5(12)10-7(8)11-6(4)13/h2H,3H2,1H3,(H3,8,10,11,13)
InChIKey
WVWIFQBDNZCHIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-9-(methoxymethyl)-9H-purin-6-ol
CAS: 1202645-50-8
CID: 136034597
Formula: C7H9N5O2
MW: 195.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.18
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass195.07562455
Monoisotopic Mass195.07562455
Topological Polar Surface Area94.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity279
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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