(2,4,5,6-Tetrahydroxy-1-oxohexan-3-yl) octadecanoate
Basic information
- CAS
77607-13-7- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(C(O)C=O)C(O)C(O)CO- InChIKey
GGRGVFSQPNDUCP-UHFFFAOYSA-N- Molecular formula
- C24H46O7
- Average molar mass
- 446.6 g/mol
- Monoisotopic mass
- 446.3243538
Names & identifiers
- Preferred name
- (2,4,5,6-Tetrahydroxy-1-oxohexan-3-yl) octadecanoate
- IUPAC
- (2,4,5,6-tetrahydroxy-1-oxohexan-3-yl) octadecanoate
Names & synonyms
77607-13-7NSC179467(2,4,5,6-tetrahydroxy-1-oxohexan-3-yl) octadecanoate3-O-octadecanoylhexoseDTXSID30306729NSC-179467
Database identifiers
- CAS
77607-13-7- PubChem CID
- 301581
- DTXSID
DTXSID30306729
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 23
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 430
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Compound notes
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