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ACTIVE PHARMA INGREDIENTS

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Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: D-talitol, 643-03-8, Altritol, Talitol, D-talitol-1-13c, (2r,3r,4s,5r)-hexane-1,2,3,4,5,6-hexaol

Molecular Formula

C₆H₁₄O₆

Molecular Weight

182.17 g/mol

InChI Key

FBPFZTCFMRRESA-KAZBKCHUSA-N

FDA UNII

83BXR29EKJ

D-altritol is a natural product found in Cordiera sessilis, Euonymus atropurpureus, and Himanthalia elongata with data available.

1 2D Structure

D-Talitol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol

2.1.2 InChI

InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6+/m1/s1

2.1.3 InChI Key

FBPFZTCFMRRESA-KAZBKCHUSA-N

2.1.4 Canonical SMILES

C(C(C(C(C(CO)O)O)O)O)O

2.1.5 Isomeric SMILES

C([C@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)O

2.2 Other Identifiers

2.2.1 UNII

83BXR29EKJ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Altritol

2. L-altritol

3. Talitol

2.3.2 Depositor-Supplied Synonyms

1. D-talitol

2. 643-03-8

3. Altritol

4. Talitol

5. D-talitol-1-13c

6. (2r,3r,4s,5r)-hexane-1,2,3,4,5,6-hexaol

7. 5552-13-6

8. Altritol, D-

9. (2r,3r,4s,5r)-hexane-1,2,3,4,5,6-hexol

10. (2r,3s,4r,5r)-hexane-1,2,3,4,5,6-hexol

11. 83bxr29ekj

12. Wurcs=2.0/1,1,0/[h1222h]/1/

13. 9td9l8s68n

14. Altro-hexitol

15. Tlz

16. Mfcd00191491

17. Unii-83bxr29ekj

18. Unii-9td9l8s68n

19. Schembl15040

20. Chebi:134311

21. Zinc18010484

22. As-64096

23. Cs-0226038

24. T1398

25. C21524

26. D95360

27. W-203390

28. Q27466520

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₄O₆
Molecular Weight	182.17 g/mol
XLogP3	-3.1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	182.07903816 g/mol
Monoisotopic Mass	182.07903816 g/mol
Topological Polar Surface Area	121 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	105
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