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Cyclic HPMPC

CAT: 0013-GTR19188059-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188059-01Size:25 mg
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Description
Cyclic HPMPC is a potent antiviral small molecule that has demonstrated efficacy in vivo, improving survival outcomes in vaccinia virus-infected mice and reducing viral replication in guinea pig cytomegalovirus models. Its applications include research into antiviral mechanisms and therapies against DNA viruses.
CAS Number
127757-45-3
Field of Research
Infectious Disease & Virology
Smiles
C (N1C (=O) N=C (N) C=C1) [C@H]2COP (=O) (O) CO2
Molecular Formula
C8H12N3O5P
Molecular Weight
261.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cyclic HPMPC
CAS Number127757-45-3
PubChem CID122873
IUPAC Name4-amino-1-[[(5S)-2-hydroxy-2-oxo-1,4,2lambda5-dioxaphosphinan-5-yl]methyl]pyrimidin-2-one
Molecular FormulaC8H12N3O5P
Molecular Weight261.17
XLogP-2.6
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity435
SMILES
C1[C@@H](OCP(=O)(O1)O)CN2C=CC(=NC2=O)N
InChI
InChI=1S/C8H12N3O5P/c9-7-1-2-11(8(12)10-7)3-6-4-16-17(13,14)5-15-6/h1-2,6H,3-5H2,(H,13,14)(H2,9,10,12)/t6-/m0/s1
InChIKey
YXQUGSXUDFTPLL-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of Cyclic HPMPC
CAS: 127757-45-3
CID: 122873
Formula: C8H12N3O5P
MW: 261.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.17
XLogP3-2.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass261.05145749
Monoisotopic Mass261.05145749
Topological Polar Surface Area114 Ų
Heavy Atom Count17
Formal Charge0
Complexity435
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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