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Calcium D-saccharate tetrahydrate

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Name

Calcium D-saccharate tetrahydrate

EINECS 227-334-1
CAS No. 5793-89-5 Density N/A
PSA 198.10000 LogP -6.32740
Solubility Soluble in water(0.43g/L). Melting Point >250oC (482oCF)
Formula C6H8CaO8.4H2O Boiling Point 766.4 °C at 760 mmHg
Molecular Weight 320.264 Flash Point 431.2 °C
Transport Information N/A Appearance White Solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5793-89-5 (D-SACCHARIC ACID CALCIUM SALT TETRAHYDRATE) Hazard Symbols IrritantXi
Synonyms

D-Glucaricacid, calcium salt (1:1), tetrahydrate (9CI);Glucaric acid, calcium salt,tetrahydrate, D- (8CI);Calcium D-saccharate tetrahydrate;

 

Calcium D-saccharate tetrahydrate Specification

The Calcium D-saccharate tetrahydrate, with the CAS registry number 10482-56-1, is also known as Calcium saccharat-4-wasser. Its EINECS registry number is 227-334-1. This chemical's molecular formula is C6H16CaO12 and molecular weight is 320.26204. Its IUPAC name is called calcium (2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate tetrahydrate. This chemical's classification code is Pharmaceutic Aid (stabilizer).

Physical properties of Calcium D-saccharate tetrahydrate: (1)ACD/LogP: -1.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.12; (4)ACD/LogD (pH 7.4): -6.21; (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: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 9; (12)Flash Point: 431.2 °C; (13)Enthalpy of Vaporization: 127.27 kJ/mol; (14)Boiling Point: 766.4 °C at 760 mmHg; (15)Vapour Pressure: 4.04E-27 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[O-]C(=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C([O-])=O.O.O.O.O
(2)InChI: InChI=1/C6H10O8.Ca.4H2O/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;4*1H2/q;+2;;;;/p-2/t1-,2+,3-,4+
(3)InChIKey: ZQWFSIZRQANUDA-DJWAYROABH

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