chempirical

3-Deazauridine

C10H13NO6CAS 23205-42-7243.22 g/mol

Open in Covalent MOL file
OOHNOHOHOOH
AlcoholEtherPhenol

Properties

Molecular formula
C10H13NO6
Molar mass
243.22 g/mol
Exact mass
243.0743 Da
logP
-1.83Crippen estimate
Polar surface area
112.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
23205-42-7
SMILES
O=c1cc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey
CBOKZNLSFMZJJA-PEBGCTIMSA-N
InChI
InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-3,6,8-10,12-13,15-16H,4H2/t6-,8-,9-,10-/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • 2(1H)-Pyridinone, 4-hydroxy-1-β-D-ribofuranosyl-
  • 2(1H)-Pyridone, 4-hydroxy-1-β-D-ribofuranosyl-
  • 4-Hydroxy-1-β-D-ribofuranosyl-2(1H)-pyridinone
  • 4-Hydroxy-1-(β-D-ribofuranosyl)-2-pyridone
  • 1-β-D-Ribofuranosyl-4-hydroxy-2-pyridone
  • NSC 126849
  • 3-Deazuridine

Work with 3-Deazauridine

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

Uracil arabinoside3083-77-059 % similar Uridine58-96-859 % similar 4-Thiouridine13957-31-855 % similar N4-Hydroxycytidine3258-02-454 % similar Cytarabine147-94-453 % similar Cytidine65-46-353 % similar Zebularine3690-10-652 % similar N(4)-Methylcytidine10578-79-752 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook