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2D Structure
Also known as: 1707-77-3, D-mannitol diacetonide, D-mannitol 1,2:5,6-bis-acetonide, (1s,2s)-1,2-bis[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol, 1,2,5,6-di-o-isopropylidene-d-mannitol, 1,2:5,6-bis-o-(1-methylethylidene)-d-mannitol
Molecular Formula
C12H22O6
Molecular Weight
262.30  g/mol
InChI Key
ODYBCPSCYHAGHA-ZYUZMQFOSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
2.1.2 InChI
InChI=1S/C12H22O6/c1-11(2)15-5-7(17-11)9(13)10(14)8-6-16-12(3,4)18-8/h7-10,13-14H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1
2.1.3 InChI Key
ODYBCPSCYHAGHA-ZYUZMQFOSA-N
2.1.4 Canonical SMILES
CC1(OCC(O1)C(C(C2COC(O2)(C)C)O)O)C
2.1.5 Isomeric SMILES
CC1(OC[C@@H](O1)[C@H]([C@@H]([C@H]2COC(O2)(C)C)O)O)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1707-77-3

2. D-mannitol Diacetonide

3. D-mannitol 1,2:5,6-bis-acetonide

4. (1s,2s)-1,2-bis[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol

5. 1,2,5,6-di-o-isopropylidene-d-mannitol

6. 1,2:5,6-bis-o-(1-methylethylidene)-d-mannitol

7. (1s,2s)-1,2-bis((r)-2,2-dimethyl-1,3-dioxolan-4-yl)ethane-1,2-diol

8. Mfcd00003211

9. Einecs 216-954-8

10. Mannitol Diacetonide

11. Schembl768294

12. 1,2,5,6-diacetone D-mannitol

13. Dtxsid201284699

14. Cs-m3080

15. D-mannitol1,2:5,6-bis-acetonide

16. Hy-i0703

17. Zinc4521410

18. Nsc 47987

19. Nsc 67545

20. Nsc 89874

21. Akos015919884

22. Akos015924771

23. Ac-8562

24. As-16068

25. 6-bromo-3-fluoro-2-methoxyphenylboronicacid

26. D2024

27. F10687

28. 1,2:5,6-di-o-isopropylidene-d-mannitol, 98%

29. D-mannitol,1,2:5,6-bis-o-(1-methylethylidene)-

30. J-650223

31. Amido Black Staining Solution 2x,amido Black 10b, Naphthol Blue Black Solution

32. Amido Black Staining Solution 2x,amido Black 10b, Naphthol Blue Black Solution,

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 262.30 g/mol
Molecular Formula C12H22O6
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass262.14163842 g/mol
Monoisotopic Mass262.14163842 g/mol
Topological Polar Surface Area77.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity273
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1