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

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Properties

Molecular formula: C₁₁H₁₄N₂O₆
Molar mass: 270.24 g/mol
Exact mass: 270.0852 Da
logP: -2.14Crippen estimate
Polar surface area: 113.8 Å²
H-bond donors / acceptors: 3 / 6
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

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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