Basic information
- CAS
86971-02-0- Standard SMILES
CC(=O)NC1=N[C@@]2(C(C)=O)[C@H](C[C@@](C)(O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)C(=O)N1- InChIKey
OOEWKAKUBPVIDR-XRQSXFTLSA-N- Molecular formula
- C17H23N3O8
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.1485147
Names & identifiers
- Preferred name
- Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)-
- IUPAC
- [(4aS,6R,7R,8R,8aS)-2-acetamido-8a-acetyl-8-acetyloxy-6-hydroxy-6-methyl-4-oxo-4a,5,7,8-tetrahydro-3H-quinazolin-7-yl] acetate
Names & synonyms
86971-02-0Acetamide, N-(8a-acetyl-7,8-bis(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-6-methyl-4-oxo-2-quinazolinyl)-, (4aalpha,6alpha,7alpha,8alpha,8aalpha)-DTXSID801007221N-[(4aS,6R,7R,8R,8aS)-8a-Acetyl-7,8-bis(acetyloxy)-4,6-dihydroxy-6-methyl-4a,5,6,7,8,8a-hexahydroquinazolin-2-yl]ethanimidic acidN-[8a-Acetyl-7,8-bis(acetyloxy)-4,6-dihydroxy-6-methyl-4a,5,6,7,8,8a-hexahydroquinazolin-2-yl]ethanimidic acid
Database identifiers
- CAS
86971-02-0- PubChem CID
- 190078
- DTXSID
DTXSID801007221
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 778
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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