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Compound
N-tetradecyl-N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide
HCID
178442948
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Basic information
Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCCCCCCCCCCCCC)C1OC(CO)C(O)C(O)C1O
InChIKey
DJYBZOGDONLYKY-UHFFFAOYSA-N
Molecular formula
C38H75NO6
Average molar mass
642 g/mol
Monoisotopic mass
641.55943911
Names & identifiers
IUPAC
N-tetradecyl-N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide
Database identifiers
PubChem CID
13576318
Properties
Computed structural properties
XLogP
12.7
Topological polar surface area
110 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
31
Heavy atoms
45
Formal charge
0
Complexity
664
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HRID
958618
As product
Validation data from https://doi.org/10.1039/C8SC04228D
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