chempirical

1-β-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione

C10H14N2O6CAS 605-23-2258.23 g/mol

Open in Covalent MOL file
NOOHOHHOONHO
AlcoholEtherPhenol

Properties

Molecular formula
C10H14N2O6
Molar mass
258.23 g/mol
Exact mass
258.0852 Da
Melting point
246–247 °C
logP
-2.13Crippen estimate
Polar surface area
125.0 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
2
Stereocentres
R, R, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
605-23-2
SMILES
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)nc1O
InChIKey
DWRXFEITVBNRMK-JAGXHNFQSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 2,4(1H,3H)-Pyrimidinedione, 1-β-D-arabinofuranosyl-5-methyl-
  • Arabinosylthymine
  • Ara-T
  • 5-Methylarabinosyluracil
  • NSC 68929
  • 1-β-D Arabinofuranosylthymine
  • Chembridge 5141213
  • Thymine, 1-β-D-arabinofuranosyl-
  • Spongothymidine
  • Spongothymidin
  • Thymine arabinoside
  • 1-β-D-Arabinofuranosylthymine

Work with 1-β-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5-Methyluridine1463-10-1Diastereomer

Similar compounds

Clevudine163252-36-680 % similar 5-Methyl-2′-O-methyluridine55486-09-478 % similar 5-Iodouridine1024-99-376 % similar 5-Hydroxyuridine957-77-775 % similar 5-Fluorouridine316-46-172 % similar 5-Bromouridine957-75-572 % similar Telbivudine3424-98-465 % similar Thymidine50-89-565 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N1-Methylpseudouridine13860-38-3 5-[4-Hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione2140-68-3 2′-O-Methyluridine2140-76-3 2'-C-Methyluridine31448-54-1 5-Hydroxymethyl-2′-deoxyuridine5116-24-5 3'-O-Methyluridine6038-59-1 3-Methyl-5-β-D-ribofuranosyl-2,4(1H,3H)-pyrimidinedione81691-06-7

Elsewhere

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