Summary

IMPPAT Phytochemical identifier: IMPHY017808

Phytochemical name: L-ascorbyl dipalmitate

Synonymous chemical names:
l-ascorbyl dipalmitate

External chemical identifiers:
CID:90470792

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)OC[C@@H](C1OC(=O)C(=C1O)O)OC(=O)CCCCCCCCCCCCCCC

InChI:
InChI=1S/C38H68O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(39)44-31-32(37-35(41)36(42)38(43)46-37)45-34(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,37,41-42H,3-31H2,1-2H3/t32-,37?/m0/s1

InChIKey:
KQZNFGJQTPAURD-XRRNFBIGSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)OC[C@@H]COC=O)C=C5O))O)))))OC=O)CCCCCCCCCCCCCCC

Functional groups:
CC(=O)OC, COC(C)=O, O=C1OCC(O)=C1O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCO1

Scaffold Graph/Node level:
OC1CCCO1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Tricarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.583

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Chemical structure download