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5-Methyluridine

CAT: 0127-OR52639-01Size: 10 gDry Ice: NoHazardous: No
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CAS Number
1463-10-1
Synonyms
Ribothymidine
MDL Number
MFCD00006535
Purity
97%
Smiles
CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O
Storage Conditions
Store at 2-8°C

Chemical Information

5-Methyluridine

Ribothymidine is a methyluridine having a single methyl substituent at the 5-position on the uracil ring. It has a role as an antigen, an Escherichia coli metabolite and a human metabolite.

CAS Number1463-10-1
PubChem CID445408
IUPAC Name1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular FormulaC10H14N2O6
Molecular Weight258.23
XLogP-1.6
Topological Polar Surface Area119
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity409
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1
InChIKey
DWRXFEITVBNRMK-JXOAFFINSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyluridine
CAS: 1463-10-1
CID: 445408
Formula: C10H14N2O6
MW: 258.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight258.23
XLogP3-1.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass258.08518617
Monoisotopic Mass258.08518617
Topological Polar Surface Area119 Ų
Heavy Atom Count18
Formal Charge0
Complexity409
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes