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Valganciclovir Impurity 5

CAT: 1299-RM-V010705-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V010705-01Size:10 mg
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CAS Number
1401562-16-0
Synonyms
2- ((2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl) methoxy) -3-hydroxypropyl methyl-L-valinate hydrochloride
Molecular Formula
C15H24N6O5 HCl
Molecular Weight
368.39 36.46
Target Alternative Name
Valganciclovir
Product Name Synonym
2- ((2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl) methoxy) -3-hydroxypropyl methyl-L-valinate hydrochloride

Chemical Information

2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl N-methyl-L-valinate hydrochloride
CAS Number1401562-16-0
PubChem CID137177902
IUPAC Name[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride
Molecular FormulaC15H25ClN6O5
Molecular Weight404.85
Topological Polar Surface Area153
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity543
SMILES
CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N)NC.Cl
InChI
InChI=1S/C15H24N6O5.ClH/c1-8(2)10(17-3)14(24)25-5-9(4-22)26-7-21-6-18-11-12(21)19-15(16)20-13(11)23;/h6,8-10,17,22H,4-5,7H2,1-3H3,(H3,16,19,20,23);1H/t9?,10-;/m0./s1
InChIKey
UOXYIRLWWGUICN-FTCYEJDNSA-N
Chemical Structure
2D Structure
2D structure of 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl N-methyl-L-valinate hydrochloride
CAS: 1401562-16-0
CID: 137177902
Formula: C15H25ClN6O5
MW: 404.85
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.85
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass404.1574956
Monoisotopic Mass404.1574956
Topological Polar Surface Area153 Ų
Heavy Atom Count27
Formal Charge0
Complexity543
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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