6-beta-Hydroxyaphidicolin
Basic information
- CAS
82026-07-1- Standard SMILES
CC1(CO)C(O)CCC2(C)C1C(O)CC1CC3CC12CCC3(O)CO- InChIKey
SOPHJADXFALVLH-UHFFFAOYSA-N- Molecular formula
- C20H34O5
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.24062418
Names & identifiers
- Preferred name
- 6-beta-Hydroxyaphidicolin
- IUPAC
- 6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,8,13-triol
Names & synonyms
82026-07-16-.beta.-HydroxyaphidicolinNSC340292APHIDICOLIN, 6-B-HYDROXY-CHEMBL1969124DTXSID601002401NSC-3402924,9-Bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalene-3,5,9-triol
Database identifiers
- CAS
82026-07-1- PubChem CID
- 433996
- DTXSID
DTXSID601002401- ChEMBL
CHEMBL1969124
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 554
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Compound notes
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