Basic information
- CAS
129214-51-3- Standard SMILES
CCCCCC[C@H](O)CCC[C@H](O)[C@H]1CC[C@H]([C@H]2CCC([C@H](O)CCCCCCCCCCCCC3=C[C@H](C)OC3=O)O2)O1- InChIKey
DAEFUOXKPZLQMM-RMAYOPNDSA-N- Molecular formula
- C37H66O7
- Average molar mass
- 622.9 g/mol
- Monoisotopic mass
- 622.48085444
Names & identifiers
- Preferred name
- 3-{13-[5'-(1,5-Dihydroxyundecyl)[2,2'-bioxolan]-5-yl]-13-hydroxytridecyl}-5-methylfuran-2(5H)-one
- IUPAC
- (2S)-4-[(13R)-13-[(5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
Names & synonyms
DTXSID90926321129214-51-33-{13-[5'-(1,5-Dihydroxyundecyl)[2,2'-bioxolan]-5-yl]-13-hydroxytridecyl}-5-methylfuran-2(5H)-one(5S)-3-[(13R)-13-{(2R,2'R,5'R)-5'-[(1S,5S)-1,5-Dihydroxyundecyl][2,2'-bioxolan]-5-yl}-13-hydroxytridecyl]-5-methylfuran-2(5H)-one
Database identifiers
- CAS
129214-51-3- PubChem CID
- 180488
- DTXSID
DTXSID90926321
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 25
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 801
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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