CAS 6322-07-2

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Chemistry

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Also known as: 6322-07-2, D-(-)-gulonic acid gamma-lactone, 3327-64-8, Gulonolactone, D-gulonic acid gamma-lactone, Gulono-1,4-lactone

Molecular Formula

C₆H₁₀O₆

Molecular Weight

178.14 g/mol

InChI Key

SXZYCXMUPBBULW-LECHCGJUSA-N

1 2D Structure

CAS 6322-07-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one

2.1.2 InChI

InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m1/s1

2.1.3 InChI Key

SXZYCXMUPBBULW-LECHCGJUSA-N

2.1.4 Canonical SMILES

C(C(C1C(C(C(=O)O1)O)O)O)O

2.1.5 Isomeric SMILES

C([C@H]([C@H]1[C@H]([C@H](C(=O)O1)O)O)O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Gulonolactone

2. Gulonolactone, (d)-isomer

3. Gulonolactone, (l)-isomer

2.2.2 Depositor-Supplied Synonyms

1. 6322-07-2

2. D-(-)-gulonic Acid Gamma-lactone

3. 3327-64-8

4. Gulonolactone

5. D-gulonic Acid Gamma-lactone

6. Gulono-1,4-lactone

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

8. (3r,4s,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one

9. D-gulono-gamma-lactone

10. 1,4-d-gulonolactone

11. Gulonic Acid-1,4-lactone

12. Mfcd00005391

13. I(3)-d-gluconolactone

14. D-gulonic Acid Y-lactone

15. D-gulonic Acid

16. A-lactone

17. Gulonic Acid, Gamma-lactone

18. D(-)-gulono-gamma-lactone

19. Schembl1331510

20. Chebi:177057

21. D-(-)-gulono-gamma-lactone

22. Dtxsid001036177

23. D-gulonic Acid Gamma-lactone, 97%

24. Einecs 228-678-5

25. Nsc 34392

26. S3362

27. Akos026751479

28. Zinc100052581

29. Ds-11667

30. Hy-118840

31. C3401

32. Cs-0068648

33. C05410

34. A853223

35. Baf290d4-5a2b-424c-9f26-37dbb214e76b

36. Wurcs=2.0/1,1,0/[a2212h_1-4]/1/

37. (3r,4s,5s)-5-[(1r)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one

38. (3r,4s,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₀O₆
Molecular Weight	178.14 g/mol
XLogP3	-2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	178.04773803 g/mol
Monoisotopic Mass	178.04773803 g/mol
Topological Polar Surface Area	107 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	181
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1