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Adefovir Dipivoxyl Impurity A

CAT: 1596-AR-A01423-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01423-01Size:10 Units
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CAS Number
142341-05-7
Synonyms
((((2- (6-amino-9H-purin-9-yl) ethoxy) methyl) (hydroxy) phosphoryl) oxy) methyl pivalate; Adefovir Monopivoxil; ((((2- (6-Amino-9H-purin-9-yl) ethoxy) methyl) (hydroxy) phosphoryl) oxy) methyl pivalate;2- (6-aminopurin-9-yl) ethoxymethyl- (2,2-dimethylpropanoyloxymethoxy) phosphinic Acid; Propanoic acid, 2,2-dimethyl-, [[[[2- (6-amino-9H-purin-9-yl) ethoxy]methyl]hydroxyphosphinyl]oxy]methyl ester; ((((2- (6-Amino-9H-purin-9-yl) ethoxy) methyl) - (hydroxy) phosphoryl) oxy) methyl pivalate; Adefovir Dipivoxyl Impurity A
Molecular Formula
C14H22N5O6P
Molecular Weight
387.33
API Name
Adefovir

Chemical Information

((((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)(hydroxy)phosphoryl)oxy)methyl pivalate
CAS Number142341-05-7
PubChem CID10362748
IUPAC Name2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid
Molecular FormulaC14H22N5O6P
Molecular Weight387.33
XLogP-0.1
Topological Polar Surface Area152
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count26
Formal Charge0
Complexity530
SMILES
CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C14H22N5O6P/c1-14(2,3)13(20)24-8-25-26(21,22)9-23-5-4-19-7-18-10-11(15)16-6-17-12(10)19/h6-7H,4-5,8-9H2,1-3H3,(H,21,22)(H2,15,16,17)
InChIKey
MYHVYLHIHRHSDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ((((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)(hydroxy)phosphoryl)oxy)methyl pivalate
CAS: 142341-05-7
CID: 10362748
Formula: C14H22N5O6P
MW: 387.33
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.33
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass387.13077044
Monoisotopic Mass387.13077044
Topological Polar Surface Area152 Ų
Heavy Atom Count26
Formal Charge0
Complexity530
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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