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CAS 14215-97-5
PharmaCompass
  • Chemistry
CAS 14215-97-5
Also known as: 14215-97-5, D-ribofuranose, 1-acetate 2,3,5-tribenzoate, Ak142726, 1-o-acetyl-2,3,5-tri-o-benzoyl-d-ribose, D-ribofuranose 1-acetate 2,3,5-tribenzoate, (3r,4r,5r)-2-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]oxolan-3-yl benzoate
Molecular Formula
C28H24O9
Molecular Weight
504.491  g/mol
InChI Key
GCZABPLTDYVJMP-ASAMFVBJSA-N

1 2D Structure

CAS 14215-97-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(2R,3R,4R)-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-ASAMFVBJSA-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)OC1[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. 14215-97-5

2. D-ribofuranose, 1-acetate 2,3,5-tribenzoate

3. Ak142726

4. 1-o-acetyl-2,3,5-tri-o-benzoyl-d-ribose

5. D-ribofuranose 1-acetate 2,3,5-tribenzoate

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

7. (2s,3r,4r,5r)-2-acetoxy-5-((benzoyloxy)methyl)tetrahydrofuran-3,4-diyl Dibenzoate

8. 1-o-acetyl-2,3,5-tri-o-benzoyl-b-d-ribofuranose

9. Schembl309486

10. 1-o-acetyl-2,3,5-tri-o-benzoyl-alpha,beta-d-ribofuranose

11. Ctk4c2970

12. Dtxsid20448642

13. Gczabpltdyvjmp-asamfvbjsa-n

14. Molport-009-198-139

15. Anw-48694

16. Mfcd00071596

17. Akos015920421

18. Ebd2203831

19. Gs-5965

20. 1-o-acetyl-2,3,5-tri-o-benzoylribose

21. Br-36144

22. Sy026400

23. Ab0069074

24. Ax8009266

25. Ax8282525

26. Tc-137439

27. D-ribofuranose,1-acetate 2,3,5-tribenzoate

28. D-ribofuranose-1-acetate-2,3,5-tribenzoate

29. Ft-0654734

30. M-5571

31. 974a329

32. W-201228

33. 1-o-acetyl-2,3,5-tri-o-benzoyl-a,b-d-ribofuranose

34. 1-o-acetyl-2,3,5-tri-o-benzoyl-

35. A,

36. A-d-ribofuranose

37. 3'-deoxy-5'-o-[bis(4-methoxyphenyl)phenylmethyl]-5-methyluridine 2'-ce Phosphoramidite

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 504.491 g/mol
Molecular Formula C28H24O9
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass504.142 g/mol
Monoisotopic Mass504.142 g/mol
Topological Polar Surface Area114 A^2
Heavy Atom Count37
Formal Charge0
Complexity794
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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