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C-BVDU

CAT: 0931-T67796-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T67796-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2651218-35-6
Target
Others
Related Pathways
Others
Bioactivity
C-BVDU is a very potent and selective anti-herpes-virus compound.
Smiles
O=C1NC(=O)N(C=C1C=CBr)C2CC(O)C(CO)C2
Molecular Formula
C12H15BrN2O4
Molecular Weight
331.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(3-hydroxy-4-(hydroxymethyl)-cyclopentyl)-5-(2-bromovinyl)-2,4-(1H,3H)-pyrimidinedione

RN & structure given in first source; RN refers to (E)-isomer

CAS Number2651218-35-6
PubChem CID3726889
IUPAC Name5-(2-bromoethenyl)-1-[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
C1C(CC(C1CO)O)N2C=C(C(=O)NC2=O)C=CBr
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)
InChIKey
KAVDAMFOTJIBCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-hydroxy-4-(hydroxymethyl)-cyclopentyl)-5-(2-bromovinyl)-2,4-(1H,3H)-pyrimidinedione
CAS: 2651218-35-6
CID: 3726889
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 Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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