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Cyclic HPMPC

CAT: 0931-T60419-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T60419-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
127757-45-3
Target
Others, Virus Protease
Related Pathways
Microbiology/Virology, Others
Bioactivity
Cyclic HPMPC is a potent antiviral agent that increases arterial oxygen saturation in mice infected with the lethal vaccinia virus (IHD strain) and reduces viral replication in guinea pigs, thereby improving outcomes in congenital guinea pig cytomegalovirus (GPCMV) infection [1] [2].
Smiles
C(N1C(=O)N=C(N)C=C1)[C@H]2COP(=O)(O)CO2
Molecular Formula
C8H12N3O5P
Molecular Weight
261.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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