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Adefovir Dipivoxyl Impurity C

CAT: 1596-AR-A01422-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01422-01Size:10 Units
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CAS Number
142341-04-6
Synonyms
((((2- (6-amino-9H-purin-9-yl) ethoxy) methyl) (ethoxy) phosphoryl) oxy) methyl pivalate; ((((2- (6-Amino-9H-purin-9-yl) ethoxy) methyl) (ethoxy) phosphoryl) oxy) methyl pivalate; Adefovir Dipivoxyl Impurity C; ((((2- (6-Amino-9H-purin-9-yl) ethoxy) methyl) - (ethoxy) phosphoryl) oxy) methyl pivalate; PROPANOIC ACID, 2,2-DIMETHYL-, [[[[2- (6-AMINO-9H-PURIN-9-YL) ETHOXY]METHYL]ETHOXYPHOSPHINYL]OXY]METHYL ESTER;2,2-Dimethylpropanoic Acid [[[[2- (6-amino-9H-purin-9-yl) ethoxy]methyl]ethoxyphosphinyl]oxy]methyl ester
Molecular Formula
C16H26N5O6P
Molecular Weight
415.39
API Name
Adefovir

Chemical Information

((((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)(ethoxy)phosphoryl)oxy)methyl pivalate
CAS Number142341-04-6
PubChem CID10319663
IUPAC Name[2-(6-aminopurin-9-yl)ethoxymethyl-ethoxyphosphoryl]oxymethyl 2,2-dimethylpropanoate
Molecular FormulaC16H26N5O6P
Molecular Weight415.38
XLogP0.8
Topological Polar Surface Area141
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count28
Formal Charge0
Complexity560
SMILES
CCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C16H26N5O6P/c1-5-26-28(23,27-10-25-15(22)16(2,3)4)11-24-7-6-21-9-20-12-13(17)18-8-19-14(12)21/h8-9H,5-7,10-11H2,1-4H3,(H2,17,18,19)
InChIKey
NOZLVTCICOSPFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ((((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)(ethoxy)phosphoryl)oxy)methyl pivalate
CAS: 142341-04-6
CID: 10319663
Formula: C16H26N5O6P
MW: 415.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.38
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass415.16207056
Monoisotopic Mass415.16207056
Topological Polar Surface Area141 Ų
Heavy Atom Count28
Formal Charge0
Complexity560
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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