3-[5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]propanoic acid
Basic information
- CAS
65926-38-7- Standard SMILES
O=C(O)CCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O- InChIKey
CNPROGMHDAXTGV-UHFFFAOYSA-N- Molecular formula
- C11H14N2O7
- Average molar mass
- 286.24 g/mol
- Monoisotopic mass
- 286.08010079
Names & identifiers
- Preferred name
- 3-[5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]propanoic acid
- IUPAC
- 3-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]propanoic acid
Names & synonyms
NSC33288465926-38-7DTXSID80318599NSC-3328841-(5,6-Dideoxyheptofuranuronosyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
65926-38-7- PubChem CID
- 333075
- DTXSID
DTXSID80318599
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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