Basic information
- CAS
58330-31-7- Standard SMILES
N[C@@H]1CCCc2cc(O)c(O)cc2[C@@H]1O- InChIKey
CXOMNHDKNWKHID-KCJUWKMLSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis-
- IUPAC
- (5S,6R)-6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,3,5-triol
Names & synonyms
cis-6,7,8,9-Tetrahydro-6-amino-5H-benzocycloheptene-2,3,5-triol5H-BENZOCYCLOHEPTENE-2,3,5-TRIOL, 6,7,8,9-TETRAHYDRO-6-AMINO-, cis-DTXSID10207063cis-2,3-Dihydroxy-6-amino-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol58330-31-7RefChem:305352DTXCID10129554(5S,6R)-6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,3,5-triolCHEMBL319358
Database identifiers
- CAS
58330-31-7- PubChem CID
- 40221
- DTXSID
DTXSID10207063- ChEMBL
CHEMBL319358- Nikkaji
- J220.772I
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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