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2D Structure
Also known as: 4740-78-7, 5-hydroxy-1,3-dioxane, 86687-05-0, 1,3-formalglycerol, Glycerol formal, alpha,alpha', M-dioxan-5-ol
Molecular Formula
C4H8O3
Molecular Weight
104.10  g/mol
InChI Key
VCKSNYNNVSOWEE-UHFFFAOYSA-N
FDA UNII
F6UP32GBII

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,3-dioxan-5-ol
2.1.2 InChI
InChI=1S/C4H8O3/c5-4-1-6-3-7-2-4/h4-5H,1-3H2
2.1.3 InChI Key
VCKSNYNNVSOWEE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C(COCO1)O
2.2 Other Identifiers
2.2.1 UNII
F6UP32GBII
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 4740-78-7

2. 5-hydroxy-1,3-dioxane

3. 86687-05-0

4. 1,3-formalglycerol

5. Glycerol Formal, Alpha,alpha'

6. M-dioxan-5-ol

7. F6up32gbii

8. Mfcd00014645

9. Glycerol Formal (mixture Of 5-hydroxy-1,3-dioxane And 4-hydroxymethyl-1,3-dioxolane)

10. Unii-f6up32gbii

11. Einecs 225-248-9

12. 5-hydroxy-m-dioxane

13. Glycerol Formal (=1,3-dioxan-5-ol)

14. Alpha,.alpha'glycerol Formal

15. Schembl337298

16. Dtxsid20197128

17. Zinc4262027

18. Bbl011466

19. Stl146578

20. Akos005720978

21. Ds-18121

22. Glycerol Formal, .alpha.,.alpha'

23. Sy039164

24. Ft-0622101

25. Ft-0699554

26. G0391

27. 687d050

28. Q27277728

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 104.10 g/mol
Molecular Formula C4H8O3
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass104.047344113 g/mol
Monoisotopic Mass104.047344113 g/mol
Topological Polar Surface Area38.7 Ų
Heavy Atom Count7
Formal Charge0
Complexity48.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1