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Calcium Glucoheptonate
Also known as: Calcium glucoheptonate, Calcium gluceptate, Calcium;(2r,3r,4s,5r,6r)-2,3,4,5,6,7-hexahydroxyheptanoate, A-d-glucoheptonic acid calcium salt, Db-043867, Ft-0623394
Molecular Formula
C14H26CaO16
Molecular Weight
490.42  g/mol
InChI Key
FATUQANACHZLRT-UHFFFAOYSA-L

1 2D Structure

Calcium Glucoheptonate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;2,3,4,5,6,7-hexahydroxyheptanoate
2.1.2 InChI
InChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2
2.1.3 InChI Key
FATUQANACHZLRT-UHFFFAOYSA-L
2.1.4 Canonical SMILES
C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.[Ca+2]
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Alpha-glucoheptonic Acid

2. Alpha-glucoheptonic Acid, Calcium Salt (2:1)

3. Alpha-glucoheptonic Acid, Calcium Salt (2:1), Heptahydrate

4. Alpha-glucoheptonic Acid, Magnesium Salt (2:1)

5. Alpha-glucoheptonic Acid, Potassium Salt

6. Alpha-glucoheptonic Acid, Sodium Salt

7. Calcium Gluceptate

8. Calcium Glucoheptonate

9. Copper Glucoheptonate

10. Glucoheptonate

11. Glucoheptonic Acid

2.2.2 Depositor-Supplied Synonyms

1. Calcium Glucoheptonate

2. Calcium Gluceptate

3. Calcium;(2r,3r,4s,5r,6r)-2,3,4,5,6,7-hexahydroxyheptanoate

4. A-d-glucoheptonic Acid Calcium Salt

5. Db-043867

6. Ft-0623394

7. Ft-0637507

8. Sw222262-1

9. Bis(2,3,4,5,6,7-hexahydroxyheptanoic Acid)calcium Salt

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 490.42 g/mol
Molecular Formula C14H26CaO16
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Exact Mass490.0846756 g/mol
Monoisotopic Mass490.0846756 g/mol
Topological Polar Surface Area323 Ų
Heavy Atom Count31
Formal Charge0
Complexity202
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
4 Pharmacology and Biochemistry
4.1 ATC Code

A - Alimentary tract and metabolism

A12 - Mineral supplements

A12A - Calcium

A12AA - Calcium

A12AA10 - Calcium glucoheptonate


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