Ribavirin-13C5

CAT: 0024-sc-219969Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-219969Size:1 mg

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CAS Number

1646818-35-0

Chemical Information

Ribavirin-13C5

CAS Number	1646818-35-0
PubChem CID	76973118
IUPAC Name	1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
Molecular Formula	C8H12N4O5
Molecular Weight	249.17
XLogP	-1.8
Topological Polar Surface Area	144
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	304

SMILES

C1=NC(=NN1[13C@H]2[13C@@H]([13C@@H]([13C@H](O2)[13CH2]O)O)O)C(=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/i1+1,3+1,4+1,5+1,8+1

InChIKey

IWUCXVSUMQZMFG-XYJHPSJVSA-N

Chemical Structure

2D Structure

CAS: 1646818-35-0

CID: 76973118

Formula: C8H12N4O5

MW: 249.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.17
XLogP3	-1.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	249.09754367
Monoisotopic Mass	249.09754367
Topological Polar Surface Area	144 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	304
Isotope Atom Count	5
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-477175	Ribavirin-13C2
sc-203238	Ribavirin
sc-203238A	Ribavirin
sc-213215	α-Ribavirin
sc-203238B	Ribavirin
sc-211664	Iso Ribavirin (Ribavirin Impurity G)
sc-477178	Ribavirin Carboxylic Acid
sc-478892B	Adenosine-13C5
sc-478892A	Adenosine-13C5
sc-500876	Succinylacetone-13C5

Catalog	Name
WQC81835-01	Ribavirin-13C5
R1999-01	Ribavirin-13C5 (1-ß-D-Ribofuranosyl-1H-1,2,4-triazole-3-carboxamide-13C5)
MBS6032411-01	Ribavirin-13C5 (1-beta-D-Ribofuranosyl-1H-1,2,4-triazole-3-carboxamide-13C5)
R018-100MG	Ribavirin