Basic information
- CAS
30951-40-7- Standard SMILES
COC1=C(Br)[C@@H](O)[C@@](O)(CC#N)C=C1Br- InChIKey
BGYNLOSBKBOJJD-RKDXNWHRSA-N- Molecular formula
- C9H9Br2NO3
- Average molar mass
- 338.98 g/mol
- Monoisotopic mass
- 336.89492
Overview
See also: Aeroplysinin (annotation moved to).
Names & identifiers
- Preferred name
- Zamamistatin
- IUPAC
- 2-[(1R,6S)-3,5-dibromo-1,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl]acetonitrile
Names & synonyms
Zamamistatin(-)-Aeroplysinin I(-)-Aeroplysinin 1AEROPLYSININ-I (RACEMIC)(+-)-Aeroplysinin I30951-40-7NSC 286160(-)3,5-Dibromo-1(ax),6(ax)dihydroxy-4-methoxycyclohexa-2,4-diene-1-acetonitrile2,4-Cyclohexadiene-1-acetonitrile, 3,5-dibromo-1,6-dihydroxy-4-methoxy-, trans-(+-)-
Database identifiers
- CAS
30951-40-7、55057-73-3- PubChem CID
- 100307
- Nikkaji
- J329.222C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 382
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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