Calcium glucoheptonate

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Description

Calcium glucoheptonate is a highly water-soluble calcium supplement. Calcium glucoheptonate can increase the proliferation rate and Calcium intake of MG-63 cells and increase the activity of alkaline phosphatase (ALP) . Calcium glucoheptonate can upregulate the expression of osteogenic-related genes and proteins, such as collagen-1, osteocalcin and osteocalcin. Calcium glucoheptonate can be used for the researches of osteoporosis and hypocalcemia[1].

CAS Number

23351-51-1

UNSPSC

12352211

Hazard Statement

H302-H315-H319-H335

Target

Collagen; Osteopontin; Phosphatase

Related Pathways

Cytoskeleton; Immunology/Inflammation; Metabolic Enzyme/Protease

Field of Research

Metabolic Disease

Smiles

OC(C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)=O

Molecular Formula

C7H14O8

Molecular Weight

226.18

Precautions

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

References & Citations

[1]Modi PK, et al. Effect of calcium glucoheptonate on proliferation and osteogenesis of osteoblast-like cells in vitro. PLoS One. 2019 Sep 9;14 (9) :e0222240.

Shipping Conditions

Room temperature

Scientific Category

Reference compound2

Clinical Information

No Development Reported

Chemical Information

Glucoheptanoic acid

(2xi)-D-gluco-heptonic acid is an unspecified mixture of (2R)- and 2(S)-D-gluco-heptonic acid. It is a monocarboxylic acid and a carbohydrate acid. It is a conjugate acid of a (2xi)-D-gluco-heptonate.

CAS Number	23351-51-1
PubChem CID	61888
IUPAC Name	(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid
Molecular Formula	C7H14O8
Molecular Weight	226.18
XLogP	-4
Topological Polar Surface Area	159
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	207

SMILES

C([C@H]([C@H]([C@@H]([C@H](C(C(=O)O)O)O)O)O)O)O

InChI

InChI=1S/C7H14O8/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h2-6,8-13H,1H2,(H,14,15)/t2-,3-,4+,5-,6?/m1/s1

InChIKey

KWMLJOLKUYYJFJ-GASJEMHNSA-N

Chemical Structure

2D Structure

CAS: 23351-51-1

CID: 61888

Formula: C7H14O8

MW: 226.18

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	226.18
XLogP3	-4
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	226.06886740
Monoisotopic Mass	226.06886740
Topological Polar Surface Area	159 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	207
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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