CAS 14215-97-5

Chemistry

Chemistry

Also known as: 14215-97-5, D-ribofuranose, 1-acetate 2,3,5-tribenzoate, 6974-32-9, [(2r,3r,4r)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate, (3r,4r,5r)-2-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]oxolan-3-yl benzoate, 1-o-acetyl-2,3,5-tri-o-benzoyl-alpha,beta-d-ribofuranose

Molecular Formula

C₂₈H₂₄O₉

Molecular Weight

504.5 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 MeSH Synonyms

1. 1-a-tb-r Cpd

2. 1-o-acetyl-2,3,5-tri-o-benzoyl-l-ribofuranose

2.2.2 Depositor-Supplied Synonyms

1. 14215-97-5

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

3. 6974-32-9

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

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

6. 1-o-acetyl-2,3,5-tri-o-benzoyl-alpha,beta-d-ribofuranose

7. Mfcd00067634

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

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

10. Schembl309486

11. Dtxsid20448642

12. Akos015920421

13. Gs-5965

14. D-ribofuranose,1-acetate2,3,5-tribenzoate

15. Cs-0155025

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

17. A-d-ribofuranose 1-acetate 2,3,5-tribenzoate

18. P15251

19. 974a329

20. A885227

21. W-201228

22. 1-o-acetyl-2,3,5-tri-o-benzoyl-?,?-d-ribofuranose

23. 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 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	3
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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