Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate)
Basic information
- CAS
5793-87-3- Standard SMILES
O=C([O-])C1(O)CC(O)C(O)C(O)C1.O=C([O-])C1(O)CC(O)C(O)C(O)C1.[Ca+2]- InChIKey
LUULGDQBMOTIRA-UHFFFAOYSA-L- Molecular formula
- C14H22CaO12
- Average molar mass
- 422.39 g/mol
- Monoisotopic mass
- 422.073717
Names & identifiers
- Preferred name
- Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate)
- IUPAC
- calcium bis(1,3,4,5-tetrahydroxycyclohexane-1-carboxylate)
- English name
- calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate)
- Molecular formula
- C14H22CaO12
- Molecular weight
- 422.39528
Names & synonyms
5793-87-3Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate)Rel-calcium (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylateEINECS 227-333-6DTXSID40973507LUULGDQBMOTIRA-UHFFFAOYSA-LNS00082700CALCIUM BIS(1,3,4,5-TETRAHYDROXYCYCLOHEXANE-1-CARBOXYLATE)
Database identifiers
- CAS
5793-87-3- PubChem CID
- 110712
- DTXSID
DTXSID40973507- EC Number
- 227-333-6
Properties
Computed structural properties
- Topological polar surface area
- 242 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 198
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Related reactions
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Compound notes
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