beta-D-ribofuranuronic acid, 1-deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, methyl ester
Basic information
- CAS
55039-05-9- Standard SMILES
COC(=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O- InChIKey
KBXLPOOODXHSKA-FKSUSPILSA-N- Molecular formula
- C10H12N2O7
- Average molar mass
- 272.21 g/mol
- Monoisotopic mass
- 272.06445073
Names & identifiers
- Preferred name
- beta-D-ribofuranuronic acid, 1-deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, methyl ester
- IUPAC
- methyl (2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxylate
Names & synonyms
beta-D-ribofuranuronic acid, 1-deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, methyl ester55039-05-9Methyl 1-deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronateDTXSID302035821-(5-Methyl-beta-D-ribofuranosyluronosyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
55039-05-9- PubChem CID
- 150667
- DTXSID
DTXSID30203582
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 449
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Related reactions
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Compound notes
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