Basic information
- CAS
93980-58-6- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H]([C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC[C@@H]1O- InChIKey
XLHKBKPYBHLCTJ-NEWJQEBSSA-N- Molecular formula
- C50H96O7
- Average molar mass
- 809.3 g/mol
- Monoisotopic mass
- 808.7156054
Names & identifiers
- Preferred name
- Sorbitan, didocosanoate
- IUPAC
- [(2R,3R,4S)-2-[(1R)-1-docosanoyloxy-2-hydroxyethyl]-4-hydroxyoxolan-3-yl] docosanoate
- English name
- Sorbitan, didocosanoate
- Molecular formula
- C50H96O7
- Molecular weight
- 809.29304
Names & synonyms
Sorbitan, didocosanoate93980-58-6EINECS 301-036-2DTXSID80240068RefChem:184430DTXCID80162559301-036-2XLHKBKPYBHLCTJ-NEWJQEBSSA-NNS000398341,4-Anhydro-3,5-di-O-docosanoyl-D-glucitol
Database identifiers
- CAS
93980-58-6- PubChem CID
- 44152016
- DTXSID
DTXSID80240068- EC Number
- 301-036-2
Properties
Computed structural properties
- XLogP
- 19.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 46
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 866
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Sorbitan, didocosanoate
Sorbitan, didocosanoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Sorbitan, didocosanoate: Human health tier I assessment
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…