chempirical

3-Methyl-5-beta-D-ribofuranosyl-2,4(1H,3H)-pyrimidinedione

C10H14N2O6CAS 81691-06-7258.23 g/mol

Open in Covalent MOL file
NOHNOHOHOOHO
AlcoholEtherPhenol

Properties

Molecular formula
C10H14N2O6
Molar mass
258.23 g/mol
Exact mass
258.0852 Da
logP
-2.36Crippen estimate
Polar surface area
125.0 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
2
Stereocentres
S, R, S, Rin 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
81691-06-7
SMILES
Cn1c(O)ncc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O
InChIKey
DXEJZRDJXRVUPN-XUTVFYLZSA-N
InChI
InChI=1S/C10H14N2O6/c1-12-9(16)4(2-11-10(12)17)8-7(15)6(14)5(3-13)18-8/h2,5-8,13-15H,3H2,1H3,(H,11,17)/t5-,6-,7-,8+/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • 3-Methyl-5-β-D-ribofuranosyl-2,4(1H,3H)-pyrimidinedione
  • 2,4(1H,3H)-Pyrimidinedione, 3-methyl-5-β-D-ribofuranosyl-
  • 3-Methylpseudouridine
  • NSC 363818

Work with 3-Methyl-5-beta-D-ribofuranosyl-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

Similar compounds

1,3-Dimethylpseudouridine64272-68-060 % similar Pseudouridine1445-07-451 % similar 3-(3-Amino-3-carboxypropyl)-1-methylpseudouridine52777-29-443 % similar N1-Ethylpseudouridine1613529-72-843 % similar 1-Methylguanosine2140-65-042 % similar 1-Methylinosine2140-73-042 % similar 2-Thiopseudouridine59464-18-541 % similar N1-Benzyl pseudouridine1613530-22-539 % similar

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

Same formula

N1-Methylpseudouridine13860-38-3 5-Methyluridine1463-10-1 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 1-Beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione605-23-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook