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Ascorbic acid palmitate

Synopsis, Chemistry

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Also known as: Palmitoyl l-ascorbic acid, 6-monopalmitoyl-l-ascorbate, 1-ascorbyl palmitate, Ascorbic acid palmitate, 6-hexadecanoyl-l-ascorbic acid, L-ascorbyl monopalmitate

Molecular Formula

C₂₂H₃₈O₇

Molecular Weight

414.5 g/mol

InChI Key

QAQJMLQRFWZOBN-UHFFFAOYSA-N

1 2D Structure

Ascorbic acid palmitate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] hexadecanoate

2.1.2 InChI

InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3

2.1.3 InChI Key

QAQJMLQRFWZOBN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 6-o-palmitoylascorbate

2. 6-o-palmitoylascorbic Acid

3. Asc-6-o-palmitate

4. Asc6plm

5. Ascorbate 6-palmitate

6. Ascorbic Acid-6-o-palmitate

7. Ascorbyl Palmitate

8. Vitamin C-palmitate

2.2.2 Depositor-Supplied Synonyms

1. Palmitoyl L-ascorbic Acid

2. 6-monopalmitoyl-l-ascorbate

3. 1-ascorbyl Palmitate

4. Ascorbic Acid Palmitate

5. 6-hexadecanoyl-l-ascorbic Acid

6. L-ascorbyl Monopalmitate

7. 6-palmitoylascorbic Acid

8. L-ascorbic Acid, 6-palmitate

9. Ascorbic Palmitate

10. Ascorbyl Monopalmitate

11. Palmitic Acid, Ester With Ascorbic Acid

12. Ascorboyl Palmitate

13. Ascorbylpalmitic Acid

14. Ascorbyl 6-palmitate

15. 6-palmitoyl-l-ascorbic Acid

16. 2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl Hexadecanoate

17. Nsc 402451

18. Vitamin C-palmitate

19. 6-o-hexadecanoylhex-1-enofuranos-3-ulose

20. L-ascorbylpalmitate

21. Ncgc00161605-01

22. Ascorbyl Palmitate, Usan

23. Upcmld-dp030

24. Schembl285433

25. Schembl2617115

26. Chembl1566067

27. Upcmld-dp030:001

28. Dtxsid00974439

29. Lmfa07010788

30. Nsc402451

31. Akos015895924

32. Ncgc00161605-02

33. Nci60_003777

34. Ft-0622493

35. Hexadecanoic Acid 2-(2,5-dihydro-5-oxo-3,4-dihydroxyfuran-2-yl)2-hydroxyethyl Ester

2.3 Create Date

2011-12-26

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₃₈O₇
Molecular Weight	414.5 g/mol
XLogP3	6.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	18
Exact Mass	414.26175355 g/mol
Monoisotopic Mass	414.26175355 g/mol
Topological Polar Surface Area	113 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	515
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antimutagenic Agents

Agents that reduce the frequency or rate of spontaneous or induced mutations independently of the mechanism involved. (See all compounds classified as Antimutagenic Agents.)

Antineoplastic Agents

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

Antioxidants

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)