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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Fucoidan - alaria, Fucoidan - ecklonia, Fucoidan - durvillea, Fucoidan - sargassum, Fucoidan - cladosiphon, Fucoidan - fucus serratus

Molecular Formula

C₇H₁₄O₇S

Molecular Weight

242.25 g/mol

InChI Key

NLMDZXKCTWKRSQ-IBISWUOJSA-N

[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2,6-dimethyloxan-3-yl]oxidanesulfonic acid is a natural product found in Sargassum thunbergii, Costaria costata, and other organisms with data available.

1 2D Structure

Fucoidan

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2,6-dimethyloxan-3-yl] hydrogen sulfate

2.1.2 InChI

InChI=1S/C7H14O7S/c1-3-5(8)6(9)7(4(2)13-3)14-15(10,11)12/h3-9H,1-2H3,(H,10,11,12)/t3-,4+,5-,6+,7-/m1/s1

2.1.3 InChI Key

NLMDZXKCTWKRSQ-IBISWUOJSA-N

2.1.4 Canonical SMILES

CC1C(C(C(C(O1)C)OS(=O)(=O)O)O)O

2.1.5 Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)OS(=O)(=O)O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Fucoidan - Alaria

2. Fucoidan - Ecklonia

3. Fucoidan - Durvillea

4. Fucoidan - Sargassum

5. Fucoidan - Cladosiphon

6. Fucoidan - Fucus Serratus

7. Fucoidan - Fucus Vesiculosus

8. Fucoidan - Laminaria Digitata

9. Fucoidan - Ascophyllum Nodosum

10. Fucoidan - Laminaria Japonicia

11. Fucoidan - Lessonia Nigrescens

12. Fucoidan - Macrocystis Pyrifera

13. Fucoidan - Pelvetia Canaliculata

14. Zinc97974745

15. Yf01606

16. Yf09360

17. Yf09361

18. Yf09362

19. Yf09363

20. Yf57714

21. Yf145109

22. Yf146833

23. Yf146834

24. Yf153483

25. Yf157138

26. Yf157165

27. Yf157166

28. Yf157167

29. Fucoidan - Ascophyllum Nodosum, Analytical Grade

30. (2s,3s,4s,5s,6r)-4,5-dihydroxy-2,6-dimethyltetrahydro-2h-pyran-3-yl Hydrogen Sulfate

2.3 Create Date

2015-11-07

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₄O₇S
Molecular Weight	242.25 g/mol
XLogP3	-1.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	242.04602395 g/mol
Monoisotopic Mass	242.04602395 g/mol
Topological Polar Surface Area	122 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	308
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1