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CAS No.: | 5793-89-5 |
---|---|
Name: | D-SACCHARIC ACID CALCIUM SALT TETRAHYDRATE |
Molecular Structure: | |
Formula: | C6H8CaO8.4H2O |
Molecular Weight: | 320.264 |
Synonyms: | D-Glucaricacid, calcium salt (1:1), tetrahydrate (9CI);Glucaric acid, calcium salt,tetrahydrate, D- (8CI);Calcium D-saccharate tetrahydrate; |
EINECS: | 227-334-1 |
Melting Point: | >250oC (482oCF) |
Boiling Point: | 766.4 °C at 760 mmHg |
Flash Point: | 431.2 °C |
Solubility: | Soluble in water(0.43g/L). |
Appearance: | White Solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 198.10000 |
LogP: | -6.32740 |
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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