Basic information
- CAS
26436-12-4- Standard SMILES
CO[C@]12[C@H](COC(C)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1N[C@H]12- InChIKey
RBFIGNNUQCZRCZ-HWEUEPGHSA-N- Molecular formula
- C16H19N3O5
- Average molar mass
- 333.34 g/mol
- Monoisotopic mass
- 333.13247072
Names & identifiers
- Preferred name
- (6-Amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl acetate
- IUPAC
- [(4R,6R,7S,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl acetate
Names & synonyms
DTXSID80949322(6-Amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl acetate[(1aR,8S,8aS,8bR)-6-Amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl acetate
Database identifiers
- CAS
26436-12-4- PubChem CID
- 33508
- DTXSID
DTXSID80949322
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 755
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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