1-[2,5-Anhydro-4-C-(hydroxymethyl)-alpha-L-lyxofuranosyl]-2,4(1H,3H)-pyrimidinedione

C10H12N2O6CAS 200435-92-3256.21 g/mol

Open in Covalent MOL file
OONONHOHOOH
AlcoholEther

Properties

Molecular formula
C10H12N2O6
Molar mass
256.21 g/mol
Exact mass
256.0695 Da
logP
-2.44Crippen estimate
Polar surface area
113.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2
Stereocentres
S, S, R, Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
200435-92-3
SMILES
C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)CO
InChIKey
KNLNWXXWKDEEFW-JIOCBJNQSA-N
InChI
InChI=1S/C10H12N2O6/c13-3-10-4-17-6(7(10)15)8(18-10)12-2-1-5(14)11-9(12)16/h1-2,6-8,13,15H,3-4H2,(H,11,14,16)/t6-,7+,8-,10+/m1/s1

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Names and synonyms

1 names
  • 1-((1S,3R,4R,7S)-7-Hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4(1H,3H)-dione

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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-((1S,3R,4R,7S)-7-Hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione206055-67-664 % similar 4'-C-Azidouridine139442-01-652 % similar L-Uridine26287-69-447 % similar 3'-Deoxyuridine7057-27-447 % similar 3'-O-Methyluridine6038-59-145 % similar 2'-O-(2-Methoxyethyl)uridine223777-15-945 % similar 2'-C-Methyluridine31448-54-144 % similar 2'-Chloro-2'-deoxyuridine4753-04-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethylenediaminetetraacetic dianhydride23911-25-3

Elsewhere

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