Basic information
- CAS
22561-74-6- 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)CO.[Ba+2]- InChIKey
PECPTSUHUFWKDG-IYEMJOQQSA-L- Molecular formula
- C12H22BaO14
- Average molar mass
- 527.62 g/mol
- Monoisotopic mass
- 528.006202
Names & identifiers
- Preferred name
- Barium gluconate
- IUPAC
- barium(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
- English name
- barium di-D-gluconate
- Molecular formula
- C6H14BaO7
- Molecular weight
- 335.5
Names & synonyms
barium gluconateBarium di-D-gluconate22561-74-6D-Gluconic acid, barium saltDTXSID7045079C23395US5PEINECS 245-081-5NSC-1945Barium di(D-gluconate)SCHEMBL159843UNII-C23395US5PCHEMBL3182297
Show more names
DTXCID5025079Tox21_110002NCGC00013015-01CAS-5328-41-6D-GLUCONIC ACID, BARIUM SALT (2:1)GLUCONIC ACID, BARIUM SALT (2:1), D-Q27275085
Database identifiers
- CAS
22561-74-6、5328-41-6- PubChem CID
- 89753
- DTXSID
DTXSID7045079- ChEMBL
CHEMBL3182297- UNII
- C23395US5P
- EC Number
- 245-081-5
- Nikkaji
- J43.252K
Properties
Computed structural properties
- Topological polar surface area
- 283 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- FDA UNII
- 23395 US5P · C23395US5P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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