Basic information
- CAS
3470-36-8- Standard SMILES
O=C(O)C(O)C(O)C(O)C(=O)CO- InChIKey
IZSRJDGCGRAUAR-UHFFFAOYSA-N- Molecular formula
- C6H10O7
- Average molar mass
- 194.14 g/mol
- Monoisotopic mass
- 194.04265265
Overview
5-Keto-D-gluconate is a carbonyl compound.
Names & identifiers
- Preferred name
- 2,3,4,6-Tetrahydroxy-5-oxohexanoic acid
- IUPAC
- 2,3,4,6-tetrahydroxy-5-oxohexanoic acid
- English name
- 5-Keto-D-gluconic acid hemicalcium
- Molecular formula
- C12H18CaO14
- Molecular weight
- 426.34092
Names & synonyms
2,3,4,6-tetrahydroxy-5-oxohexanoic acidRefChem:1059194hex-5-ulosonic acid5-keto-D-gluconateD-arabino-5-Hexulosonic acidtagaturonate5-k-gluconate5-Ketogluconsaure5K-GLUCONATE5-Keto-L-galactonic acidSCHEMBL7858261CHEMBL2008942
Show more names
5-Keto-D-gluconic acid hemicalciumcalcium bis[D-xylo-hex-5-ulosonate]Bis(D-xylo-5-hexulosonic acid)calcium salt
DTXSID20859810CHEBI:180368IZSRJDGCGRAUAR-UHFFFAOYSA-NMA146089NCI60_001352
Database identifiers
- CAS
3470-36-8- PubChem CID
- 157
- DTXSID
DTXSID20859810- ChEMBL
CHEMBL2008942- ChEBI
CHEBI:180368
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 1 C59PKC55M · 1C59PKC55M
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Additional notes
DefinitionChEBI: 5-Keto-D-gluconate is a carbonyl compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…