CAS 62211-93-2

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Also known as: 62211-93-2, (2s,3r,4r,5r)-5-methyltetrahydrofuran-2,3,4-triyl triacetate, 1,2,3-tri-o-acetyl-5-deoxy-b-d-ribofuranose, [(2r,3r,4r,5s)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate, 5-deoxy-1,2,3-triacetyl-5-deoxy-beta-d-ribose, Mfcd08458459

Molecular Formula

C₁₁H₁₆O₇

Molecular Weight

260.24 g/mol

InChI Key

NXEJETQVUQAKTO-PRTGYXNQSA-N

1 2D Structure

CAS 62211-93-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R,3R,4R,5S)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate

2.1.2 InChI

InChI=1S/C11H16O7/c1-5-9(16-6(2)12)10(17-7(3)13)11(15-5)18-8(4)14/h5,9-11H,1-4H3/t5-,9-,10-,11+/m1/s1

2.1.3 InChI Key

NXEJETQVUQAKTO-PRTGYXNQSA-N

2.1.4 Canonical SMILES

CC1C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C

2.1.5 Isomeric SMILES

C[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. 62211-93-2

2. (2s,3r,4r,5r)-5-methyltetrahydrofuran-2,3,4-triyl Triacetate

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

4. [(2r,3r,4r,5s)-4,5-diacetyloxy-2-methyloxolan-3-yl] Acetate

5. 5-deoxy-1,2,3-triacetyl-5-deoxy-beta-d-ribose

6. Mfcd08458459

7. Schembl332385

8. Chembl3245957

9. Dtxsid20958236

10. Zinc26892827

11. 1,2,3-triacetoxy-5-deoxy-d-ribose

12. Akos015951152

13. Bcp9000034

14. Cs-w003521

15. B-d-ribofuranose, 5-deoxy-, Triacetate

16. As-16067

17. 1,2,3-tri-o-acetyl-5-deoxypentofuranose

18. T2607

19. 1,2,3-triacetyl-5-deoxy-beta-d-riboturanose

20. B-d-ribofuranose, 5-deoxy-,1,2,3-triacetate

21. 5-deoxy-1,2,3-tri-o-acetyl-beta-d-ribofuranose

22. 211t932

23. W-60070

24. 1,2,3-tri-o-acetyl-5-deoxy-.beta.-d-ribofuranose

25. Q-200585

26. 1-o,2-o,3-o-triacetyl-5-deoxy-beta-d-ribofuranose

27. (2s,3r,4r,5r)-5-methyltetrahydrofuran-2,3,4-triyltriacetate

2.3 Create Date

2006-10-28

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆O₇
Molecular Weight	260.24 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	260.08960285 g/mol
Monoisotopic Mass	260.08960285 g/mol
Topological Polar Surface Area	88.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	351
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