Basic information
- CAS
5996-16-7- Standard SMILES
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[Ba+2]- InChIKey
KJWDCDDLVOHIBC-BTVCFUMJSA-L- Molecular formula
- C6H11BaO9P
- Average molar mass
- 395.45 g/mol
- Monoisotopic mass
- 395.91931576
Names & identifiers
- Preferred name
- Barium glucose 6-phosphate
- IUPAC
- barium(2+);[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] phosphate
- English name
- D-Glucose-6-phosphate barium salt
- Molecular formula
- C6H11BaO9P
- Molecular weight
- 397.46
Names & synonyms
Barium glucose 6-phosphateUNII-BC62OE9M91BC62OE9M91EINECS 227-836-0D-Glucose, 6-(dihydrogen phosphate), barium salt (1:1)GLUCOSE-6-PHOSPHATE BARIUM SALT [MI]RefChem:116525GLUCOSE-6-PHOSPHATE BARIUM SALT5996-16-7barium glucose-6-phosphatebarium(2+);[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] phosphateBarium (2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl phosphate
Show more names
ROBISON ESTER BARIUM SALTGlucosephosphatebarium saltglucose 6-(barium phosphate)D-Glucose-6-phosphate barium saltD-GLUCOSE-6-PHOSPHATE BARIUM SALT 7H2OD-Glucose-6-phosphate barium salt (1:1)d-glucose,6-(dihydrogenphosphate),bariumsalt(1:1)[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] phosphate[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexyl] phosphate
(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl phosphate xBarium saltBarium (2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl phosphate(1:x)SCHEMBL9333974DTXSID601340382Q27274593
Properties
Computed structural properties
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- FDA UNII
- 62 OE9M91 · BC62OE9M91
- EPA Substance Registry System
- 6 · D-Glucose, 6-(dihydrogen phosphate), barium salt (1:1) (5996-16-7)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationD-Glucose, 6-(dihydrogen phosphate), barium salt (1:1): INACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
1 records
Compound notes
Loading…