Basic information
- CAS
92647-62-6- Standard SMILES
COC(=O)C1ON(C(=O)c2ccccc2)C(C)C(O)C1OC=O- InChIKey
MQGSDYXDFNCRIL-UHFFFAOYSA-N- Molecular formula
- C15H17NO7
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.10050188
Names & identifiers
- Preferred name
- Methyl 2-benzoyl-5-formyloxy-4-hydroxy-3-methyloxazinane-6-carboxylate
- IUPAC
- methyl 2-benzoyl-5-formyloxy-4-hydroxy-3-methyloxazinane-6-carboxylate
Names & synonyms
NSC17313492647-62-6methyl 2-benzoyl-5-formyloxy-4-hydroxy-3-methyloxazinane-6-carboxylateDTXSID70306001NSC-173134DS-013257methyl 2-benzoyl-5-formyloxy-4-hydroxy-3-methyl-oxazinane-6-carboxylateMethyl 2-benzoyl-5-(formyloxy)-4-hydroxy-3-methyl-1,2-oxazinane-6-carboxylate2H-1,2-Oxazine-6-carboxylic acid, 2-benzoyl-5-(formyloxy)tetrahydro-4-hydroxy-3-methyl-, methyl ester2H-1,2-oxazine-6-carboxylicacid, 2-benzoyl-5-(formyloxy)tetrahydro-4-hydroxy-3-methyl-, methyl ester
Database identifiers
- CAS
92647-62-6- PubChem CID
- 299808
- DTXSID
DTXSID70306001
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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