2-O-[(3r,6s)-3,6-dihydroxy-eicosanoyl]-glycerol
Basic information
- Standard SMILES
CCCCCCCCCCCCCC[C@H](O)CC[C@@H](O)CC(=O)OC(CO)CO- InChIKey
APQVBPQAGBEHBZ-LEWJYISDSA-N- Molecular formula
- C23H46O6
- Average molar mass
- 418.6 g/mol
- Monoisotopic mass
- 418.32943919
Overview
(3R,6S)-3,6-Dihydroxyicosanoic acid 1-(hydroxymethyl)-2-hydroxyethyl ester has been reported in Paulownia tomentosa with data available.
Names & identifiers
- Preferred name
- 2-O-[(3r,6s)-3,6-dihydroxy-eicosanoyl]-glycerol
- IUPAC
- 1,3-dihydroxypropan-2-yl (3R,6S)-3,6-dihydroxyicosanoate
Names & synonyms
2-O-[(3r,6s)-3,6-dihydroxy-eicosanoyl]-glycerol
Database identifiers
- Nikkaji
- J2.761.740I
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 22
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 359
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Related reactions
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Compound notes
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