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Ribavirin-13C2

CAT: 0572-TRC-R414478-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R414478-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1279035-36-7
Synonyms
1-β-D-Ribofuranosyl-1H-1,2,4-triazole-3-carboxamide-13C2; Copegus-13C2; ICN 1229-13C2; MegaRibavirin-13C2; NSC 163039-13C2; Ravanex-13C2; Rebetol-13C2; Ribamide-13C2; Ribamidil-13C2; Ribasphere-13C2; Ribavarin-13C2; Tribavirin-13C2; Vilona-13C2; Viramid-13C2; Virazole-13C2; Virizadole-13C2
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
O[C@H]1[C@@H](O)[C@H](N2N=[13C]([13C](N)=O)N=C2)O[C@@H]1CO
Molecular Formula
C613C2H12N4O5
Molecular Weight
246.19
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ribavirin-13C2
CAS Number1279035-36-7
PubChem CID91927745
IUPAC Name1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-(313C)1,2,4-triazole-3-carboxamide
Molecular FormulaC8H12N4O5
Molecular Weight246.19
XLogP-1.8
Topological Polar Surface Area144
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity304
SMILES
C1=N[13C](=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)[13C](=O)N
InChI
InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1/i6+1,7+1
InChIKey
IWUCXVSUMQZMFG-XHJYHLGGSA-N
Chemical Structure
2D Structure
2D structure of Ribavirin-13C2
CAS: 1279035-36-7
CID: 91927745
Formula: C8H12N4O5
MW: 246.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.19
XLogP3-1.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass246.08747917
Monoisotopic Mass246.08747917
Topological Polar Surface Area144 Ų
Heavy Atom Count17
Formal Charge0
Complexity304
Isotope Atom Count2
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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