Basic information
- CAS
63038-82-4- Standard SMILES
O[C@@H]1[C@H]2O[C@H]2c2cc3c(ccc4ccccc43)cc2[C@H]1O- InChIKey
QMVDCUCAPJTHNE-VSZNYVQBSA-N- Molecular formula
- C18H14O3
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.0942943
Names & identifiers
- Preferred name
- anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene
- IUPAC
- (4S,6R,7S,8R)-5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
Names & synonyms
CCRIS 77964937-39-9anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthraceneBenz(a)anthracene-8,9-diol-10,11-epoxide, syn63038-82-4Benz(a)anthracene, 8,9,10,11-tetrahydro-8,9-dihydroxy-10,11-epoxy-, anti-(4S,6R,7S,8R)-5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol64598-82-9Benz(7,8)anthra(1,2-b)oxirene-2,3-diol, 1a,2,3,11b-tetrahydro-, (1aalpha,2alpha,3beta,11balpha)-syn-(+/-)-Benz(a)anthracene-8,9-diol-10,11-oxideDTXSID7010316118beta,9alpha-Dihydroxy-10beta,11beta-epoxy-8,9,10,11-tetrahydrobenzo[a]anthracene
Show more names
BENZ[A]ANTHRACENE-10,11-DIOL-8,9-EPOXIDE8 beta,9alpha-Dihydroxy-10 beta,11 beta-epoxy-8,9,10,11-tetrahydrobenzo[a]anthracene
Database identifiers
- CAS
63038-82-4- PubChem CID
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
Chemistry & industry
Suppliers2 total
坛墨质检科技股份有限公司4008-099-669 · [email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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