2H-Pyrido[4,3-b]-1,4-oxazine-3,6(5H)-dicarboxylic acid, hexahydro-, 3-methyl 6-(phenylmethyl) ester, (4aR,8aS)-rel-
Basic information
- CAS
1422285-61-7- Standard SMILES
COC(=O)C1CO[C@@H]2CCN(C(=O)OCc3ccccc3)C[C@@H]2N1- InChIKey
NYLOZROPGPVNEZ-ZHDDOTHNSA-N- Molecular formula
- C17H22N2O5
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.15287181
Names & identifiers
- Preferred name
- 2H-Pyrido[4,3-b]-1,4-oxazine-3,6(5H)-dicarboxylic acid, hexahydro-, 3-methyl 6-(phenylmethyl) ester, (4aR,8aS)-rel-
- IUPAC
- 6-O-benzyl 3-O-methyl (4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-3,6-dicarboxylate
Names & synonyms
DTXSID5011066801422285-61-72H-Pyrido[4,3-b]-1,4-oxazine-3,6(5H)-dicarboxylic acid, hexahydro-, 3-methyl 6-(phenylmethyl) ester, (4aR,8aS)-rel-
Database identifiers
- CAS
1422285-61-7- PubChem CID
- 165367246
- DTXSID
DTXSID501106680
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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