CAS 6974-32-9

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Also known as: 6974-32-9, Beta-d-ribofuranose 1-acetate 2,3,5-tribenzoate, .beta.-d-ribofuranose, 1-acetate 2,3,5-tribenzoate, (2s,3r,4r,5r)-2-acetoxy-5-(benzoyloxymethyl)tetrahydrofuran-3,4-diyl dibenzoate, Mfcd00005357, [(2r,3r,4r,5s)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate

Molecular Formula

C₂₈H₂₄O₉

Molecular Weight

504.5 g/mol

InChI Key

GCZABPLTDYVJMP-CBUXHAPBSA-N

1 2D Structure

CAS 6974-32-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R,3R,4R,5S)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate

2.1.2 InChI

InChI=1S/C28H24O9/c1-18(29)34-28-24(37-27(32)21-15-9-4-10-16-21)23(36-26(31)20-13-7-3-8-14-20)22(35-28)17-33-25(30)19-11-5-2-6-12-19/h2-16,22-24,28H,17H2,1H3/t22-,23-,24-,28-/m1/s1

2.1.3 InChI Key

GCZABPLTDYVJMP-CBUXHAPBSA-N

2.1.4 Canonical SMILES

CC(=O)OC1C(C(C(O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

2.1.5 Isomeric SMILES

CC(=O)O[C@H]1[C@@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6974-32-9

2. Beta-d-ribofuranose 1-acetate 2,3,5-tribenzoate

3. .beta.-d-ribofuranose, 1-acetate 2,3,5-tribenzoate

4. (2s,3r,4r,5r)-2-acetoxy-5-(benzoyloxymethyl)tetrahydrofuran-3,4-diyl Dibenzoate

5. Mfcd00005357

6. [(2r,3r,4r,5s)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl Benzoate

7. Einecs 230-220-4

8. Nsc 23349

9. 1-o-acetyl-2,3,5-tri-o-benzoylpentofuranose #

10. 1-acetyl-2,3,5-tribenzoyl-beta-d-ribofuranose

11. Beta-d-ribofuranose, 1-acetate 2,3,5-tribenzoate

12. Schembl308250

13. 1-acetyl-2,3,5-tribenzoy-b-d-ribofuranose

14. 1-o-acetyl-2,3,5-tri-o-benzoyl-?-d-ribofuranose

15. Azacitidine Related Compound B

16. Ribofuranose, 1-acetate 2,3,5-tribenzoate, Beta-d-

17. Dtxsid40884346

18. (2s,3r,4r,5r)-2-acetoxy-5-((benzoyloxy)methyl)tetrahydrofuran-3,4-diyl Dibenzoate

19. Amy24697

20. Zinc3956807

21. Akos015889645

22. Ac-4270

23. Cs-w007928

24. [(2r,3r,4r,5s)-5-(acetyloxy)-3,4-bis(benzoyloxy)oxolan-2-yl]methyl Benzoate

25. Acetyl-tribenzoyl-.beta.-d-ribofuranose

26. As-13409

27. R0067

28. 1-acetyl-2,3,5-tribenzoy-beta-d-ribofuranose

29. 1-o-ac-2,3,5-tri-o-bz-beta-d-ribofuranose

30. F16262

31. 1-o-acetyl-2,3,5-tri-o-benzoyl-beta-d-ribose

32. 1-acetyl-2,3,5-tribenzoyl-.beta.-d-ribofuranose

33. Beta-d-ribofuranose,1-acetate 2,3,5-tribenzoate

34. 1-o-acetyl-2,3,5-o-benzoyl-.beta.-d-ribofuranose

35. 1-o-acetyl-2,3,5-tri-o-benzoyl-b-d-ribofuranose

36. 1-o-acetyl-2,3,5-tri-o-benzoyl-ss-d-ribofuranose

37. 1-o-acetyl-2,3,5-tri-o-benzoylbeta-d-ribofuranose

38. 1-o-acetyl-2,3,5-tri-o-benzoyl Beta-d-ribofuranose

39. 1-o-acetyl-2,3,5-tri-o-benzoyl- Beta -d-ribofuranose

40. 1-o-acetyl-2,3,5-tri-o-benzoyl-.beta.-d-ribofuranose

41. 1-o-acetyl-2,3,5-tri-o-benzyl-.beta.-d-ribofuranose

42. Beta-d-ribofuranose 1-acetate 2,3,5-tribenzoate, 98%

43. Ribofuranose, 1-acetate 2,3,5-tribenzoate, .beta.-d-

44. Azacitidine Related Compound B, United States Pharmacopeia (usp) Reference Standard

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₂₄O₉
Molecular Weight	504.5 g/mol
XLogP3	5.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Exact Mass	504.14203234 g/mol
Monoisotopic Mass	504.14203234 g/mol
Topological Polar Surface Area	114 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	794
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