Registration Dossier
Registration Dossier
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EC number: 206-075-8 | CAS number: 299-28-5
Reference substances
- IUPAC name:
- calcium bis(2,3,4,5,6-pentahydroxyhexanoate) (non-preferred name)
Inventory
- EC number:
- 206-075-8
- EC name:
- Calcium gluconate
- CAS number:
- 299-28-5
- CAS number:
- 299-28-5
Synonyms
- Names:
- D-Gluconic acid, calcium salt (2:1)
- Identifier:
- EC number
- 206-075-8
- Identifier:
- IUPAC name
- calcium bis(2,3,4,5,6-pentahydroxyhexanoate)
- Identifier:
- IUPAC name
- calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
- Identifier:
- other: SMILES notation
- C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Ca+2]
- Identifier:
- other: Molecular formula
- C12H22CaO14
- Identifier:
- other: InChl
- InChI=1S/2C6H12O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1
Molecular and structural information
- Molecular formula:
- C6H12O7.1/2Ca
- Molecular weight:
- 430.373
- SMILES notation:
- [Ca+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-]
- InChl:
- InChI=1/2C6H12O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2
- Structural formula:
Related substances
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Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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