10-Acetyllactyldithranol
Basic information
- CAS
128864-31-3- Standard SMILES
CC(=O)O[C@@H](C)C(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21- InChIKey
ZNHRCUQJUPBMDB-VIFPVBQESA-N- Molecular formula
- C19H16O6
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 340.09468823
Overview
structure given in first source
Names & identifiers
- Preferred name
- 10-Acetyllactyldithranol
- IUPAC
- [(2S)-1-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-1-oxopropan-2-yl] acetate
- English name
- 10-acetyllactyldithranol
- Molecular formula
- C19H16O6
- Molecular weight
- 340.33
Names & synonyms
10-Acetyllactyldithranol10-Acetyllaktyldithranol128864-31-3DTXSID30155991RefChem:77429DTXCID7078482(S)-10-(2-(Acetyloxy)-1-oxopropyl)-1,8-dihydroxy-9(10H)-anthracenone9(10H)-Anthracenone, 10-(2-(acetyloxy)-1-oxopropyl)-1,8-dihydroxy-, (S)-(2S)-1-(4,5-DIHYDROXY-10-OXO-9,10-DIHYDROANTHRACEN-9-YL)-1-OXOPROPAN-2-YL ACETATE9(10H)-Anthracenone, 10-[2-(acetyloxy)-1-oxopropyl]-1,8-dihydroxy-, (S)- (9CI)
Database identifiers
- CAS
128864-31-3- PubChem CID
- 5486929
- DTXSID
DTXSID30155991
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 528
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Related reactions
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Compound notes
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