Basic information
- CAS
18312-25-9- Standard SMILES
O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO.[Mg+2]- InChIKey
XFNNLUSRURIBKM-RRJWUFKUSA-L- Molecular formula
- C13H24MgO15
- Average molar mass
- 444.63 g/mol
- Monoisotopic mass
- 444.0965617
Names & identifiers
- Preferred name
- (D-Gluconato-O1,O2)(D-glycero-D-gluco-heptonato-O1,O2)magnesium
- IUPAC
- magnesium;(2R,3S,4R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
Names & synonyms
18312-25-9(D-Gluconato-O1,O2)(D-glycero-D-gluco-heptonato-O1,O2)magnesiumMagnesium glucoheptonateEINECS 242-199-9ratio-Magnesium (TN)magnesium;(2R,3S,4R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoateD08154
Database identifiers
- CAS
18312-25-9- PubChem CID
- 87577
- EC Number
- 242-199-9
Properties
Computed structural properties
- Topological polar surface area
- 303 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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