ChemicalBook--->CAS DataBase List--->1040352-40-6

1040352-40-6

1040352-40-6 Structure

1040352-40-6 Structure
IdentificationBack Directory
[Name]

2-KETO-D-GLUCONIC ACID HEMICALCIUM SALT MONOHYDRATE
[CAS]

1040352-40-6
[Synonyms]

NNLOHLDVJGPUFR-JIGBACIHSA-L
CALCIUM 2-KETO-D-GLUCONATE MONOHYDRATE
2-Keto-D-gluconic acid hemicalcium salt hydrate
2-KETO-D-GLUCONIC ACID HEMICALCIUM SALT MONOHYDRATE
2-Keto-D-gluconic acid hydrate hemicalcium salt
D-arabino-2-Hexulosonic acid calcium salt hydrate (2:1:)
D-Arabino-2-hexulopyranosonic acid hemicalcium salt hydrate
D-ARABINO-2-HEXULOPYRANOSONIC ACID HEMICALCIUM SALT MONOHYDRATE
Calcium 2-keto-D-gluconate, D-Arabino-2-hexulopyranosonic acid hydrate hemicalcium salt
[EINECS(EC#)]

689-642-6
[Molecular Formula]

C12H20CaO15
[MDL Number]

MFCD00149104
[MOL File]

1040352-40-6.mol
[Molecular Weight]

444.36
Chemical PropertiesBack Directory
[Melting point ]

>300°C
[storage temp. ]

2-8°C
[solubility ]

H2O: 50 mg/mL, clear, colorless
[form ]

Solid
[color ]

White to Off-White
[Water Solubility ]

water: 49-51mg/mL
[BRN ]

3808734
[Stability:]

Hygroscopic
[InChI]

1S/2C6H10O7.Ca.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-4,7-10H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t2*2-,3-,4+;;/m11../s1
[InChIKey]

LBTJSFDOKRLTMQ-LWDDDOIUSA-L
[SMILES]

[H]O[H].OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)C(=O)O[Ca]OC(=O)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[F ]

10
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

D-?arabino-?2-?Hexulosonic Acid Calcium Salt Hydrate is the hydrous analogue of D-?arabino-?2-?Hexulosonic Acid Calcium Salt (H347030) which is used in manufacture of L-Ascorbic Acid and D-Erythorbic Acid from 2-Keto-gulonic Acid via enzymic lactonization.
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