CAS No.11116-97-5,(gluconato)(lactato)calcium Suppliers

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Basic Information

Molecular Structure:
CAS No.:	11116-97-5
Name:	(gluconato)(lactato)calcium

Formula:	C₉H₁₆CaO₁₀
Molecular Weight:	324.29534
Synonyms:	Calcium,(gluconato)(lactato)- (8CI);Gluconic acid, calcium complex;Propanoic acid,2-hydroxy-, calcium complex;Calcium gluconolactate;Calcium lactate gluconate;
EINECS:	234-359-1
Boiling Point:	673.6 °C at 760 mmHg
Flash Point:	375.1 °C
PSA:	201.64000
LogP:	-6.71070

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Specification

The (Gluconato)(lactato)calcium is a soluble salt of calcium, lactic acid and gluconic acid with the formula C₉H₁₆CaO₁₀. The IUPAC name of this chemical is calcium; 2-hydroxypropanoate; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate. With the CAS registry number 11116-97-5 and EINECS 234-359-1, it is also named as Calcium, (gluconato)(2-hydroxypropanoato)-. What's more, it is used in effervescent calcium tablets and can be used to help neutralize HF (hydrofluoric acid) poisoning.

The other characteristics of (Gluconato)(lactato)calcium can be summarized as: (1)ACD/LogP: -3.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.88; (4)ACD/LogD (pH 7.4): -6.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 83.45 Å²; (13)Enthalpy of Vaporization: 113.2 kJ/mol; (14)Vapour Pressure: 4.95E-21 mmHg at 25°C; (15)Rotatable Bond Count: 4; (16)Exact Mass: 324.036938; (17)MonoIsotopic Mass: 324.036938; (18)Topological Polar Surface Area: 202; (19)Heavy Atom Count: 20; (20)Complexity: 218.

People can use the following data to convert to the molecule structure.
1. SMILES:[Ca+2].[O-]C(=O)C(O)C.[O-]C(=O)C(O)C(O)C(O)C(O)CO
2. InChI:InChI=1/C6H12O7.C3H6O3.Ca/c7-1-2(8)3(9)4(10)5(11)6(12)13;1-2(4)3(5)6;/h2-5,7-11H,1H2,(H,12,13);2,4H,1H3,(H,5,6);/q;;+2/p-2
3. InChIKey:PWKNEBQRTUXXLT-NUQVWONBAU
4. Std. InChI:InChI=1S/C6H12O7.C3H6O3.Ca/c7-1-2(8)3(9)4(10)5(11)6(12)13;1-2(4)3(5)6;/h2-5,7-11H,1H2,(H,12,13);2,4H,1H3,(H,5,6);/q;;+2/p-2
5. Std. InChIKey:PWKNEBQRTUXXLT-UHFFFAOYSA-L