CAS 13035-61-5

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Also known as: 13035-61-5, Tetra-o-acetyl-beta-d-ribofuranose, 1,2,3,5-tetra-o-acetyl-beta-d-ribofuranose, Tetraacetylribose, 1,2,3,5-tetra-o-acetyl-b-d-ribofuranose, (2s,3r,4r,5r)-5-(acetoxymethyl)tetrahydrofuran-2,3,4-triyl triacetate

Molecular Formula

C₁₃H₁₈O₉

Molecular Weight

318.28 g/mol

InChI Key

IHNHAHWGVLXCCI-FDYHWXHSSA-N

1 2D Structure

CAS 13035-61-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R,3R,4R,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate

2.1.2 InChI

InChI=1S/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12-,13-/m1/s1

2.1.3 InChI Key

IHNHAHWGVLXCCI-FDYHWXHSSA-N

2.1.4 Canonical SMILES

CC(=O)OCC1C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C

2.1.5 Isomeric SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 13035-61-5

2. Tetra-o-acetyl-beta-d-ribofuranose

3. 1,2,3,5-tetra-o-acetyl-beta-d-ribofuranose

4. Tetraacetylribose

5. 1,2,3,5-tetra-o-acetyl-b-d-ribofuranose

6. (2s,3r,4r,5r)-5-(acetoxymethyl)tetrahydrofuran-2,3,4-triyl Triacetate

7. 1,2,3,5-tetraacetyl-.-d-ribofuranose

8. Tetra-o-acetyl-b-d-ribofuranose

9. 1,2,3,5-tetraacetyl-beta-d-ribofuranose

10. .beta.-d-ribofuranose, Tetraacetate

11. Einecs 235-898-5

12. [(2r,3r,4r,5s)-3,4,5-triacetyloxyoxolan-2-yl]methyl Acetate

13. Ribofuranose, Tetraacetate, .beta.-d-

14. 1,2,3,5-tetra-o-acetyl Beta-d-ribofuranose

15. Tetra-o-acetyl-.beta.-d-ribofuranose

16. Tetraacetylribofuranose

17. 1,2,3,5-tetra-o-acetylpentofuranose #

18. Mfcd00005358

19. (2r,3r,4r,5s)-4,5-bis(acetyloxy)-2-[(acetyloxy)methyl]tetrahydro-3-furanyl Acetate

20. 1,2,3,5-tetraacetyl-

21. A-d-ribose

22. Ribofuranose Tetraacetate

23. Dsstox_cid_31421

24. Dsstox_rid_97307

25. Dsstox_gsid_57632

26. Schembl77518

27. Beta(r)-d-tetraacetyl Ribose

28. Chembl3183254

29. Dtxsid9057632

30. Tetraacetyl-beta-d-ribofuranoside

31. Beta-d-ribofuranose, Tetraacetate

32. 1,2,3,5-tetraacetoxy-b-d-ribose

33. Act03399

34. Zinc2169837

35. Tox21_113750

36. 1,2,3,5-tetraacetyl-beta-d-ribose

37. Nsc 18738

38. Akos015920139

39. Akos015995010

40. Ac-8170

41. Am83967

42. Cs-w019120

43. 1,2,3,5-tetraacetyl-b-d-ribofuranose

44. 1,2,3,5-tetraacetyl-ss-d-ribofuranose

45. Ncgc00253620-01

46. Ak-50517

47. Ds-15484

48. 1,2,3,5-tetraacetyl-.beta.-ribofuranose

49. Beta-d-ribofuranose-1,2,3,5-tetraacetate

50. Beta-d-(+)-ribose 1,2,3,5-tetraacetate

51. Cas-13035-61-5

52. Beta -d-ribofuranose 1,2,3,5-tetraacetate

53. R0066

54. .beta.-d-ribofuranose 1,2,3,5-tetraacetate

55. 1,2,3,5-tetra-o-acetyl-beta -d-ribofuranose

56. 1,2,3,5-tetra-o-acetyl-.beta.-d-ribofuranose

57. 035r615

58. A806070

59. Beta-d-ribofuranose 1,2,3,5-tetraacetate, 98%

60. Sr-01000944731

61. Sr-01000944731-1

62. Acetic Acid (2s,3r,4r,5r)-3,4-diacetoxy-5-acetoxymethyl-tetrahydro-furan-2-yl Ester

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₈O₉
Molecular Weight	318.28 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	318.09508215 g/mol
Monoisotopic Mass	318.09508215 g/mol
Topological Polar Surface Area	114 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	458
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