3-O-Ethyl Ascorbic Acid

Synopsis, Chemistry

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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

3-O-Ethyl Ascorbic Acid

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 Formula	C₈H₁₂O₆
Molecular Weight	204.18 g/mol
XLogP3	-1.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	204.06338810 g/mol
Monoisotopic Mass	204.06338810 g/mol
Topological Polar Surface Area	96.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	259
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1