CAS 582-52-5

Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Virtual Booth

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: Diacetone-d-glucose, 79943-22-9, 582-52-5, (3as,5r,6r,6as)-5-((s)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol, (3as,5r,6r,6as)-5-[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol, (3ar,5s,6as)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

Molecular Formula

C₁₂H₂₀O₆

Molecular Weight

260.28 g/mol

InChI Key

KEJGAYKWRDILTF-SVSWQMSJSA-N

1 2D Structure

CAS 582-52-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3aS,5R,6R,6aS)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

2.1.2 InChI

InChI=1S/C12H20O6/c1-11(2)14-5-6(16-11)8-7(13)9-10(15-8)18-12(3,4)17-9/h6-10,13H,5H2,1-4H3/t6-,7+,8-,9-,10-/m0/s1

2.1.3 InChI Key

KEJGAYKWRDILTF-SVSWQMSJSA-N

2.1.4 Canonical SMILES

CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)O)C

2.1.5 Isomeric SMILES

CC1(OC[C@H](O1)[C@H]2[C@H]([C@H]3[C@@H](O2)OC(O3)(C)C)O)C

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 1,2-5,6-di-o-isopropylidene-d-glucofuranose

2. 1,2-5,6-di-o-isopropylidene-d-glucofuranose, Potassium Salt

3. Diacetone Glucose

2.2.2 Depositor-Supplied Synonyms

1. Diacetone-d-glucose

2. 79943-22-9

3. 582-52-5

4. (3as,5r,6r,6as)-5-((s)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol

5. (3as,5r,6r,6as)-5-[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

6. (3ar,5s,6as)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

7. Diacetone-l-glucose

8. 1,2:5,6-di-o-isopropylidene-a-l-glucofuranose

9. 1,2:5,6-di-o-isopropylidene-a-d-glucofuranose

10. Schembl23511062

11. Mfcd00080779

12. Zinc22116666

13. Akos015924590

14. At13183

15. Cs-0343357

16. 1,2,5,6-di-o-isopropylidene-a-l-glucofuranose

17. 1,2:5,6-di-o-isopropylidene-alpha-l-glucofuranose?

18. 1-o,2-o:5-o,6-o-diisopropylidene-alpha-l-glucofuranose

19. 1,2,5,6-di-o-isopropylidene-

20. A Inverted Exclamation Mark-l-glucofuranose

21. (3as,5r,6r,6as)-5-((s)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-6-ol

22. (3as,5r,6r,6as)-5-[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2h-furo[2,3-d][1,3]dioxol-6-ol

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₀O₆
Molecular Weight	260.28 g/mol
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	260.12598835 g/mol
Monoisotopic Mass	260.12598835 g/mol
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	342
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

CAS 582-52-5 manufacturers and suppliers on PharmaCompass

CHEMISTRY

Discover Molecule Insights

What are you looking for?