Einecs 253-459-6
Basic information
- CAS
103289-04-9- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)O.OC[C@H]1O[C@](CO)([C@]2(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O- InChIKey
JMHZOCSMYUPIPC-WVPFIOSPSA-N- Molecular formula
- C30H58O13
- Average molar mass
- 626.8 g/mol
- Monoisotopic mass
- 626.3877419
Names & identifiers
- Preferred name
- Einecs 253-459-6
- IUPAC
- (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;octadecanoic acid
Names & synonyms
EINECS 253-459-6(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;octadecanoic acidSCHEMBL285109DTXSID00908310Octadecanoic acid--2,5-anhydro-5-(hydroxymethyl)undec-6-ulopyranose (1/1)103289-04-9Octadecanoic acid--2,5-anhydro-5-(hydroxymethyl)-alpha-D-gluco-D-manno-undec-6-ulopyranose (1/1)
Database identifiers
- CAS
103289-04-9、37318-31-3- PubChem CID
- 169906
- DTXSID
DTXSID00908310
Properties
Computed structural properties
- Topological polar surface area
- 238 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 20
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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