Basic information
- CAS
11002-15-6- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O- InChIKey
NPQMTKRPSYWPJJ-CVCQUZQZSA-N- Molecular formula
- C33H66O4
- Average molar mass
- 526.9 g/mol
- Monoisotopic mass
- 526.49611058
Overview
Heptacosan-2-yl 3,6-dideoxyhexopyranoside has been reported in Ascaris suum with data available.
Names & identifiers
- Preferred name
- Ascaroside A
- IUPAC
- (2R,3R,5R,6S)-2-[(2R)-heptacosan-2-yl]oxy-6-methyloxane-3,5-diol
Names & synonyms
Ascaroside A11002-15-6RefChem:114440(2R,3R,5R,6S)-2-((2R)-heptacosan-2-yl)oxy-6-methyloxane-3,5-diolDTXSID70911437Heptacosan-2-yl 3,6-dideoxyhexopyranoside(2R)-Heptacosan-2-yl 3,6-dideoxy-alpha-L-arabino-hexopyranoside
Database identifiers
- CAS
11002-15-6- PubChem CID
- 72201056
- DTXSID
DTXSID70911437
Properties
Computed structural properties
- XLogP
- 13
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 26
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…