Basic information
- CAS
138521-26-3- Standard SMILES
CCCC/C=C\C=C/O[C@@H](CC)CCC(CCC)CCCCCCCC(=O)O[C@]1(O)[C@]2(O)O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@]1(O)O2- InChIKey
DQPJPBFMOJZFHH-SEMPJPPCSA-N- Molecular formula
- C37H64O15
- Average molar mass
- 748.9 g/mol
- Monoisotopic mass
- 748.42452133
Names & identifiers
- Preferred name
- Ccris 8001
- IUPAC
- [(1S,3R,4S,5R,7S)-1,4,5,7-tetrahydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,6-dioxabicyclo[3.1.1]heptan-7-yl] (12S)-12-[(1Z,3Z)-octa-1,3-dienoxy]-9-propyltetradecanoate
Names & synonyms
138521-26-3CCRIS 8001(S-(Z,Z))-3-((1-Oxo-9,12-octadienyl)oxy)2-((1-oxotetradecyl)oxy)propyl 6-O-alpha-D-galactopyranosyl-beta-D-galactopyranoside(S-(Z,Z))-3-((1-OXO-9,12-OCTADIENYL)OXY)2-((1-OXOTETRADECYL)OXY)PROPYL6-O-ALPHA-D-GALACTOPYRANOSYL-B ETA-D-GALACTOPYRANOSIDE
Database identifiers
- CAS
138521-26-3- PubChem CID
- 6440367
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 234 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 26
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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