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Technical details about 3-O-Ethyl Ascorbic Acid, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: 86404-04-8, 3-o-ethyl ascorbic acid, 3-o-ethylascorbic acid, L-ascorbic acid, 3-o-ethyl-, Vitamin c ethyl, (2r)-2-[(1s)-1,2-dihydroxyethyl]-3-ethoxy-4-hydroxy-2h-furan-5-one
Molecular Formula
C8H12O6
Molecular Weight
204.18  g/mol
InChI Key
ZGSCRDSBTNQPMS-UJURSFKZSA-N
FDA UNII
6MW60CB71P

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-ethoxy-4-hydroxy-2H-furan-5-one
2.1.2 InChI
InChI=1S/C8H12O6/c1-2-13-7-5(11)8(12)14-6(7)4(10)3-9/h4,6,9-11H,2-3H2,1H3/t4-,6+/m0/s1
2.1.3 InChI Key
ZGSCRDSBTNQPMS-UJURSFKZSA-N
2.1.4 Canonical SMILES
CCOC1=C(C(=O)OC1C(CO)O)O
2.1.5 Isomeric SMILES
CCOC1=C(C(=O)O[C@@H]1[C@H](CO)O)O
2.2 Other Identifiers
2.2.1 UNII
6MW60CB71P
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-o-ethyl Ascorbic Acid

2. 3-o-ethylascorbic Acid

3. Vitamin C Ethyl

2.3.2 Depositor-Supplied Synonyms

1. 86404-04-8

2. 3-o-ethyl Ascorbic Acid

3. 3-o-ethylascorbic Acid

4. L-ascorbic Acid, 3-o-ethyl-

5. Vitamin C Ethyl

6. (2r)-2-[(1s)-1,2-dihydroxyethyl]-3-ethoxy-4-hydroxy-2h-furan-5-one

7. (r)-5-((s)-1,2-dihydroxyethyl)-4-ethoxy-3-hydroxyfuran-2(5h)-one

8. 6mw60cb71p

9. Ccris 7479

10. 3-o-ethyl-l-ascorbicacid

11. Unii-6mw60cb71p

12. Mfcd09261382

13. Activita C

14. 5-(1,2-dihydroxy-ethyl)-4-ethoxy-3-hydroxy-5h-furan-2-one

15. 3-o-ethyl-ascorbic Acid

16. Ec 617-849-3

17. 3-o-ethyl Ascorbate

18. Schembl352408

19. Corum 9515

20. Dtxsid8020595

21. Chebi:189226

22. Act05052

23. Zinc29390603

24. (5r)-5-((1s)-1,2-dihydroxyethyl)-4-ethoxy-3-hydroxy-5h-furan-2-one

25. (5r)-5-[(1s)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxyfuran-2(5h)-one

26. (5r,1's)-5-(1,2-dihydroxy-ethyl)-4-ethoxy-3-hydroxy-5h-furan-2-one

27. Akos015920304

28. Cs-w003607

29. Gs-4098

30. Hy-w003607

31. 3-o-ethyl-l-ascorbic Acid, Aldrichcpr

32. 3-o-ethyl Ascorbic Acid [inci]

33. L-ascorbic Acid 3-o-ethyl Ether

34. 404e048

35. Q-102493

36. Q27265176

37. (2r)-2-[(1s)-1,2-dihydroxyethyl]-3-ethoxy-4-hydroxy-2h-uran-5-one

38. (5r,1's)-5-(1,2-dihydroxy-ethyl)-4-ethoxy-3- Hydroxy-5h-furan-2-one

39. (5r)-5-[(1s)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2,5-dihydrofuran-2-one

40. (5r)-5-[(1s)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-5h-furan-2-one;3-o-ethyl-l-ascorbic Acid

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 204.18 g/mol
Molecular Formula C8H12O6
XLogP3-1.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass204.06338810 g/mol
Monoisotopic Mass204.06338810 g/mol
Topological Polar Surface Area96.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity259
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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