1-alpha-D-Arabinopyranosyl-4-benzamidopyrimidin-2(1H)-one
Basic information
- CAS
1293285-30-9- Standard SMILES
O=C(Nc1ccn([C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1)c1ccccc1- InChIKey
IMSXVLHZWOBKCB-PBOSXPJTSA-N- Molecular formula
- C16H17N3O6
- Average molar mass
- 347.32 g/mol
- Monoisotopic mass
- 347.11173527
Names & identifiers
- Preferred name
- 1-alpha-D-Arabinopyranosyl-4-benzamidopyrimidin-2(1H)-one
- IUPAC
- N-[2-oxo-1-[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]pyrimidin-4-yl]benzamide
Names & synonyms
DTXSID5011542271293285-30-91-alpha-D-Arabinopyranosyl-4-benzamidopyrimidin-2(1H)-oneBenzamide, N-(1-I+/--D-arabinopyranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-
Database identifiers
- CAS
1293285-30-9- PubChem CID
- 52916331
- DTXSID
DTXSID501154227
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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