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Adefovir diphosphate

CAT: 0013-GTR19208351-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208351-02Size:50 mg
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Description
Adefovir monophosphate
CAS Number
129556-87-2
Field of Research
Metabolism Research
Smiles
C (COCP (OP (=O) (O) O) (=O) O) N1C=2C (N=C1) =C (N) N=CN2
Molecular Formula
C8H13N5O7P2
Molecular Weight
353.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Adefovir monophosphate

Adefovir monophosphate is an organic molecular entity.

CAS Number129556-87-2
PubChem CID10428128
IUPAC Name2-(6-aminopurin-9-yl)ethoxymethyl-phosphonooxyphosphinic acid
Molecular FormulaC8H13N5O7P2
Molecular Weight353.17
XLogP-3.1
Topological Polar Surface Area183
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity476
SMILES
C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)OP(=O)(O)O)N
InChI
InChI=1S/C8H13N5O7P2/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-19-5-21(14,15)20-22(16,17)18/h3-4H,1-2,5H2,(H,14,15)(H2,9,10,11)(H2,16,17,18)
InChIKey
VQIHLCFUFNQXPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adefovir monophosphate
CAS: 129556-87-2
CID: 10428128
Formula: C8H13N5O7P2
MW: 353.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.17
XLogP3-3.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass353.02902177
Monoisotopic Mass353.02902177
Topological Polar Surface Area183 Ų
Heavy Atom Count22
Formal Charge0
Complexity476
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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