Basic information
- CAS
64920-33-8- Standard SMILES
O[C@@H]1[C@H]2O[C@H]2c2c(ccc3c2ccc2ccccc23)[C@H]1O- InChIKey
KPTYXJLOWLVCMU-VSZNYVQBSA-N- Molecular formula
- C18H14O3
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.0942943
Names & identifiers
- Preferred name
- syn-Chrysene-1,2-diol-3,4-epoxide
- IUPAC
- (3S,5R,6S,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
Names & synonyms
syn-Chrysene-1,2-diol-3,4-epoxide64920-33-8NIOSH/GC2061000GC20610000r-1,t-2-Dihydroxy-c-3,4-oxy-1,2,3,4-tetrahydrochrysene(1-beta,2-alpha,2a-beta,3a-beta)-1,2,2a,3a-Tetrahydrochryseno(3,4-b)oxirene-1,2-diolChryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-, (1-beta,2-alpha,2a-beta,3a-beta)-CCRIS 20325-17-05-00479 (Beilstein Handbook Reference)anti-Chrysene-1,2-diol 3,4-oxideChrysene 1,2-diol-3,4-epoxide-2BRN 4707046
Show more names
(-)-Chrysene-1-beta,2-alpha-diol-3-beta,4-beta-epoxide 1(E)-1,2,2a,3a-Tetrahydrochryseno(3,4-b)oxirene-1,2-diol(+-)-1-beta,2-alpha-Dihydroxy-3-beta,4-beta-epoxy-1,2,3,4-tetrahydrochrysene1-alpha,2-beta,2a-beta,3a-beta-Tetrahydrochryseno(3,4-b)oxirene-1,2-diolcis-(-)-3-beta,4-beta-Epoxy-1,2,3,4-tetrahydro-1-beta,2-alpha-chrysenediol1-beta,2-alpha-CHRYSENEDIOL, 1,2,3,4-TETRAHYDRO-3-beta,4-beta-EPOXY-, (+-)-1-beta,2-alpha-CHRYSENEDIOL, 1,2,3,4-TETRAHYDRO-3-beta,4-beta-EPOXY-, (Z)-(-)-Chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-, (1-alpha,2-beta,2a-beta,3a-beta)-
Database identifiers
- CAS
64920-33-8、72074-66-9、77123-24-1- PubChem CID
- 51544
- DTXSID
DTXSID20983503- Nikkaji
- J541.195E
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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