(2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-4,8-dien-2-yl]docosanamide

HCID 178961881

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Basic information

Standard SMILES: CCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC
InChIKey: VZVSHAMCIFKUFY-FCZHZXJDSA-N
Molecular formula: C44H83NO9
Average molar mass: 770.1 g/mol
Monoisotopic mass: 769.60678324

Overview

(2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-4,8-dien-2-yl]docosanamide has been reported in Euryale ferox with data available.

Names & identifiers

Preferred name: (2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-4,8-dien-2-yl]docosanamide
IUPAC: (2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-4,8-dien-2-yl]docosanamide

Names & synonyms

CHEMBL230130

Database identifiers

ChEMBL: CHEMBL230130

Properties

Computed structural properties

XLogP: 11.8
Topological polar surface area: 169 Å²
Hydrogen bond donors: 7
Hydrogen bond acceptors: 9
Rotatable bonds: 36
Heavy atoms: 54
Formal charge: 0
Complexity: 918

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Compound notes

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