Octadecanoic acid;2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
Basic information
- CAS
51801-29-7- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)O.O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO- InChIKey
DQFUQHWIFQEYOU-UHFFFAOYSA-N- Molecular formula
- C30H58O13
- Average molar mass
- 626.8 g/mol
- Monoisotopic mass
- 626.3877419
Names & identifiers
- Preferred name
- Octadecanoic acid;2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
- IUPAC
- octadecanoic acid;2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
Names & synonyms
51801-29-7NSC192743DTXSID00307566NSC-192743Octadecanoic acid--4-O-hexopyranosylhexose (1/1)
Database identifiers
- CAS
51801-29-7- PubChem CID
- 303616
- DTXSID
DTXSID00307566
Properties
Computed structural properties
- Topological polar surface area
- 235 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 24
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…