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Calcium,(2s,3s,4s,5r)-2,3,4,5-Tetrahydroxyhexanedioate,Tetrahydrate

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Calcium,(2S,3S,4S,5R)-2,3,4,5-Tetrahydroxyhexanedioate,Tetrahydrate / CAS : 5793-89-5

Appearance White powder UN 0
HS - DG Class 0
Synonyms Calcium Saccharate; Calcium D-Saccharate Tetrahydrate; D-Saccharic acid Calcium salt Tetrahydrate; Calcium Saccharate Tetrahydrate; Calcium d-Glucarate Tetrahydrate; Calcium Saccharat-4-Wasser; Glucaric; D-Glucaric acid, Calcium salt (1:1) Tetrahydrate
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Properties

Summary

Formula
C6H16CaO12
Molecular Mass
320.26200
Exact Mass
320.02700
PSA
198.10000
Logp
-6.32740
IUPAC
calcium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate;tetrahydrate
SMILES
[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O.O.O.O.O.[Ca+2]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Other Chemical Drugs

Chemical and Physical Properties

Melting Point
>250ºC (482ºCF)
Boiling Point
766.4ºC at 760 mmHg
Flash Point
431.2ºC
Appearance
White powder

Export information

UN No.
0
DG-Class
0
Risk Code
R36/37/38
Safety Label
Xi

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