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Chemistry

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Also known as: Diacetonefructose, Diacetone-beta-d-fructose, 2,3:4,5-di-o-isopropylidene-?-d-fructopyranose, Mfcd00022183, Psicose diacetonide, ((3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methanol
Molecular Formula
C12H20O6
Molecular Weight
260.28  g/mol
InChI Key
PSSHGMIAIUYOJF-UHFFFAOYSA-N

Diacetone Fructose
1 2D Structure

Diacetone Fructose

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl)methanol
2.1.2 InChI
InChI=1S/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3
2.1.3 InChI Key
PSSHGMIAIUYOJF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CO)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Diacetonefructose

2. Diacetone-beta-d-fructose

3. 2,3:4,5-di-o-isopropylidene-?-d-fructopyranose

4. Mfcd00022183

5. Psicose Diacetonide

6. ((3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methanol

7. Nsc407023

8. Di-o-isopropylidene-&beta

9. .beta.-d-fructopyranose, 2,3:4,5-bis-o-(1-methylethylidene)-

10. Schembl14302975

11. Stl452973

12. 205582-81-6

13. As-13121

14. Sy074091

15. Ft-0638057

16. 2,3:4,5-di-o-isopropylidene-

17. A-d-fructopyranose

18. A912144

19. Fructopyranose,3:4,5-di-o-isopropylidene-, .beta.-d-

20. Fructopyranose, 2,3:4,5-di-o-isopropylidene-, .beta.-d-

21. .beta.-d-fructopyranose,3:4,5-bis-o-(1-methylethylidene)-

22. (2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl)methanol (non-preferred Name)

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 260.28 g/mol
Molecular Formula C12H20O6
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass260.12598835 g/mol
Monoisotopic Mass260.12598835 g/mol
Topological Polar Surface Area66.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity355
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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31-Dec-2021
19-Sep-2024
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