Basic information
- CAS
255900-36-8- Standard SMILES
CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCC[C@@H](O)CCCC[C@H]3CC(CC(C)=O)C(=O)O3)O2)O1- InChIKey
NWVGCWARKGPJIT-NMAXTMPLSA-N- Molecular formula
- C37H66O8
- Average molar mass
- 638.9 g/mol
- Monoisotopic mass
- 638.47576906
Names & identifiers
- Preferred name
- (5S)-5-[(5R,11R)-5,11-Dihydroxy-11-[(2R,2a(2)R,5R,5a(2)R)-octahydro-5a(2)-[(1R)-1-hydroxyundecyl][2,2a(2)-bifuran]-5-yl]undecyl]dihydro-3-(2-oxopropyl)-2(3H)-furanone
- IUPAC
- (5S)-5-[(5R,11R)-5,11-dihydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
Names & synonyms
DTXSID001099953(5S)-5-[(5R,11R)-5,11-Dihydroxy-11-[(2R,2a(2)R,5R,5a(2)R)-octahydro-5a(2)-[(1R)-1-hydroxyundecyl][2,2a(2)-bifuran]-5-yl]undecyl]dihydro-3-(2-oxopropyl)-2(3H)-furanone255900-36-8
Database identifiers
- CAS
255900-36-8- PubChem CID
- 165366337
- DTXSID
DTXSID001099953
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 25
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 820
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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