Basic information
- CAS
64817-78-3- Standard SMILES
CCCCCCCCCCCCCC(=O)c1c2c(O)cccc2cc2ccc(O)c(O)c12- InChIKey
YSGMFUXPWYPKGA-UHFFFAOYSA-N- Molecular formula
- C28H36O4
- Average molar mass
- 436.6 g/mol
- Monoisotopic mass
- 436.26135963
Names & identifiers
- Preferred name
- 1,7,8-Anthracenetriol, 9-myristoyl-
- IUPAC
- 1-(1,2,8-trihydroxyanthracen-9-yl)tetradecan-1-one
Names & synonyms
1,7,8-ANTHRACENETRIOL, 9-MYRISTOYL-64817-78-39-Myristoyl-1,7,8-anthracenetriolBRN 26781591-(1,2,8-trihydroxyanthracen-9-yl)tetradecan-1-one10-Myristoyl-1,8,9-anthracenetriol1,8-Dihydroxy-10-myristoyl-9-anthrone9(10H)-Anthracenone, 1,8-dihydroxy-10-(1-oxotetradecyl)-DTXSID80215110
Database identifiers
- CAS
64817-78-3- PubChem CID
- 47465
- DTXSID
DTXSID80215110- Nikkaji
- J60.452F
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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