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GR-95168

CAT: 1410-M35994-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M35994-04Size:25 mg
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Description
GR-95168 ((+) -C-BVDU) is an antiviral compound for the study of herpes simplex virus infections type 1 and type 2.
CAS Number
95463-56-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
331.16
Molecular Formula
C12H15BrN2O4
Notes
Research use only, not for human use.
Receptor
Antifection

Chemical Information

5-[(E)-2-bromoethenyl]-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
CAS Number95463-56-2
PubChem CID6479188
IUPAC Name5-[(E)-2-bromoethenyl]-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Molecular FormulaC12H15BrN2O4
Molecular Weight331.16
XLogP0.4
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity449
SMILES
C1[C@H](C[C@@H]([C@H]1CO)O)N2C=C(C(=O)NC2=O)/C=C/Br
InChI
InChI=1S/C12H15BrN2O4/c13-2-1-7-5-15(12(19)14-11(7)18)9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H,14,18,19)/b2-1+/t8-,9-,10+/m1/s1
InChIKey
KAVDAMFOTJIBCK-CTNBOOGPSA-N
Chemical Structure
2D Structure
2D structure of 5-[(E)-2-bromoethenyl]-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
CAS: 95463-56-2
CID: 6479188
Formula: C12H15BrN2O4
MW: 331.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.16
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass330.02152
Monoisotopic Mass330.02152
Topological Polar Surface Area89.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity449
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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