Basic information
- CAS
14042-38-7- Standard SMILES
O=c1ccn(C2OC(CO)C3OC32)c(=O)[nH]1- InChIKey
UKUNPMSUMJHIKI-UHFFFAOYSA-N- Molecular formula
- C9H10N2O5
- Average molar mass
- 226.19 g/mol
- Monoisotopic mass
- 226.05897142
Names & identifiers
- Preferred name
- 1-[(2R,4R)-2-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]pyrimidine-2,4-dione
- IUPAC
- 1-[4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-dione
Names & synonyms
14042-38-71-[(2R,4R)-2-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]pyrimidine-2,4-dioneNSC88790DTXSID20930815NSC-88790NSC123849NSC-1238491-[4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-dione1-(2,3-Anhydropentofuranosyl)-4-hydroxypyrimidin-2(1H)-one
Database identifiers
- CAS
14042-38-7- PubChem CID
- 1343
- DTXSID
DTXSID20930815
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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