Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCC- InChIKey
UPXMDSJKLJTXPQ-UHFFFAOYSA-N- Molecular formula
- C50H99NO9
- Average molar mass
- 858.3 g/mol
- Monoisotopic mass
- 857.73198375
Overview
HexCer 18:0;2O/26:0;O has been reported in Isatis tinctoria with data available.
Names & identifiers
- Preferred name
- HexCer 18:0;2O/26:0;O
- IUPAC
- 2-hydroxy-N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexacosanamide
Names & synonyms
HexCer 18:0;2O/26:0;O
Properties
Computed structural properties
- XLogP
- 16.5
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 44
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 928
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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