Basic information
- CAS
14999-47-4- Standard SMILES
O=C(OCC1OC(n2ccc(=O)[nH]c2=O)C2OC12)c1ccccc1- InChIKey
WKMZPURUSZTWHP-UHFFFAOYSA-N- Molecular formula
- C16H14N2O6
- Average molar mass
- 330.29 g/mol
- Monoisotopic mass
- 330.08518617
Names & identifiers
- Preferred name
- 1-(2,3-Anhydro-5-O-benzoylpentofuranosyl)-4-hydroxypyrimidin-2(1H)-one
- IUPAC
- [4-(2,4-dioxopyrimidin-1-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methyl benzoate
Names & synonyms
MLS00269485714999-47-4NSC88791NCIOpen2_009611DTXSID30933832HMS3085H21NSC-887911-(2,3-Anhydro-5-O-benzoylpentofuranosyl)-4-hydroxypyrimidin-2(1H)-oneSMR001560773
Database identifiers
- CAS
14999-47-4- PubChem CID
- 259141
- DTXSID
DTXSID30933832
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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