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

C11H14N2O6CAS 206055-67-6270.24 g/mol

Open in Covalent MOL file
NONHOOOHOHO
AlcoholEther

Properties

Molecular formula
C11H14N2O6
Molar mass
270.24 g/mol
Exact mass
270.0852 Da
logP
-2.14Crippen estimate
Polar surface area
113.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2
Stereocentres
R, R, S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
206055-67-6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)CO)O
InChIKey
TYYUAZVXLRMUMN-SZVQBCOZSA-N
InChI
InChI=1S/C11H14N2O6/c1-5-2-13(10(17)12-8(5)16)9-6-7(15)11(3-14,19-9)4-18-6/h2,6-7,9,14-15H,3-4H2,1H3,(H,12,16,17)/t6-,7+,9-,11+/m1/s1

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Names and synonyms

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

Work with 1-((1S,3R,4R,7S)-7-Hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione

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-[2,5-Anhydro-4-C-(hydroxymethyl)-alpha-L-lyxofuranosyl]-2,4(1H,3H)-pyrimidinedione200435-92-364 % similar 2'-O-(2-Methoxyethyl)-5-methyl-uridine163759-49-748 % similar 2'-Fluorothymidine122799-38-648 % similar 2',3'-Dideoxythymidine3416-05-545 % similar 5'-O-Tritylthymidine7791-71-139 % similar 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid20924-05-435 % similar 5-Chlorouridine2880-89-935 % similar 5-Ethynyl uridine69075-42-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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