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Besifovir 50mg

CAT: 0628-A20775-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A20775-50Size:50 mg
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CAS Number
441785-25-7

Chemical Information

Besifovir
CAS Number441785-25-7
PubChem CID5270766
IUPAC Name[1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
Molecular FormulaC10H14N5O4P
Molecular Weight299.22
XLogP-1.8
Topological Polar Surface Area136
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity414
SMILES
C1CC1(CN2C=NC3=CN=C(N=C32)N)OCP(=O)(O)O
InChI
InChI=1S/C10H14N5O4P/c11-9-12-3-7-8(14-9)15(5-13-7)4-10(1-2-10)19-6-20(16,17)18/h3,5H,1-2,4,6H2,(H2,11,12,14)(H2,16,17,18)
InChIKey
KDNSSKPZBDNJDF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Besifovir
CAS: 441785-25-7
CID: 5270766
Formula: C10H14N5O4P
MW: 299.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight299.22
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass299.07834094
Monoisotopic Mass299.07834094
Topological Polar Surface Area136 Ų
Heavy Atom Count20
Formal Charge0
Complexity414
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