1-(3,4,5-Trihydroxyoxan-2-yl)pyrimidine-2,4-dione
Basic information
- CAS
4803-99-0- Standard SMILES
O=c1ccn(C2OCC(O)C(O)C2O)c(=O)[nH]1- InChIKey
CYFJUPFBCYRZFA-UHFFFAOYSA-N- Molecular formula
- C9H12N2O6
- Average molar mass
- 244.2 g/mol
- Monoisotopic mass
- 244.06953611
Names & identifiers
- Preferred name
- 1-(3,4,5-Trihydroxyoxan-2-yl)pyrimidine-2,4-dione
- IUPAC
- 1-(3,4,5-trihydroxyoxan-2-yl)pyrimidine-2,4-dione
Names & synonyms
4803-99-01-(3,4,5-trihydroxyoxan-2-yl)pyrimidine-2,4-dioneNSC291045SCHEMBL7033449DTXSID10315011MFCD03767269AKOS001745955NSC-2910451-Pentopyranosylpyrimidine-2,4(1H,3H)-dione1-(3,5-trihydroxytetrahydro-2H-pyran-2-yl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
4803-99-0- PubChem CID
- 324745
- DTXSID
DTXSID10315011
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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