CAS 1707-77-3

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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

CAS 1707-77-3

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 Formula	C₁₂H₂₂O₆
Molecular Weight	262.30 g/mol
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	262.14163842 g/mol
Monoisotopic Mass	262.14163842 g/mol
Topological Polar Surface Area	77.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	273
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