r-9,t-10-Dihydroxy-t-11,12-oxy-9,10,11,12-tetrahydrobenzo(c)chrysene
Basic information
- CAS
139237-89-1- Standard SMILES
O[C@@H]1[C@H]2O[C@H]2c2c(ccc3ccc4c5ccccc5ccc4c23)[C@H]1O- InChIKey
JCURJWCOLRTMLD-CLAROIROSA-N- Molecular formula
- C22H16O3
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.10994437
Names & identifiers
- Preferred name
- r-9,t-10-Dihydroxy-t-11,12-oxy-9,10,11,12-tetrahydrobenzo(c)chrysene
- IUPAC
- (18R,19S,20R,22S)-21-oxahexacyclo[12.9.0.02,11.05,10.017,23.020,22]tricosa-1(14),2(11),3,5,7,9,12,15,17(23)-nonaene-18,19-diol
- English name
- R-9,t-10-Dihydroxy-t-11,12-oxy-9,10,11,12-tetrahydrobenzo[c]chrysene
- Molecular formula
- C22H16O3
- Molecular weight
- 328.36064
Names & synonyms
139237-89-1r-9,t-10-Dihydroxy-t-11,12-oxy-9,10,11,12-tetrahydrobenzo(c)chrysene(+/-)-r-9,t-10-Dihydroxy-t-11,12-oxy-9,10,11,12-tetrahydorbenzo(c)chryseneNaphtho(2',1':5,6)phenanthro(3,4-b)oxirene-9,10-diol, 9,10,10a,11a-tetrahydro-, (9-alpha,10-beta,10a-beta,11a-beta)-(+-)-(18R,19S,20R,22S)-21-Oxahexacyclo[12.9.0.02,11.05,10.017,23.020,22]tricosa-1(14),2(11),3,5,7,9,12,15,17(23)-nonaene-18,19-diolR-9,t-10-Dihydroxy-t-11,12-oxy-9,10,11,12-tetrahydrobenzo[c]chrysene
Database identifiers
- CAS
139237-89-1- PubChem CID
- 197310
- Nikkaji
- J592.009D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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