1,6-Di-O-phosphono-beta-D-fructofuranose
Basic information
- CAS
34378-77-3- Standard SMILES
O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O- InChIKey
RNBGYGVWRKECFJ-ARQDHWQXSA-N- Molecular formula
- C6H14O12P2
- Average molar mass
- 340.12 g/mol
- Monoisotopic mass
- 339.99604915
Overview
Beta-D-fructofuranose 1,6-bisphosphate is a D-fructofuranose 1,6-bisphosphate with a beta-configuration at the anomeric position. It has a role as a mouse metabolite. It is functionally related to a beta-D-fructofuranose. It is a conjugate acid of a beta-D-fructofuranose 1,6-bisphosphate(4-).
Names & identifiers
- Preferred name
- 1,6-Di-O-phosphono-beta-D-fructofuranose
- IUPAC
- [(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
- English name
- Fbp
- Molecular formula
- C6H14O12P2
- Molecular weight
- 340.11
Names & synonyms
1,6-di-O-phosphono-beta-D-fructofuranoseGlyTouCan:G68927OSRefChem:1104731G68927OSbeta-D-Fructose 1,6-bisphosphatebeta-D-fructofuranose 1,6-bisphosphate34693-15-734378-77-3Beta-Fructose-1,6-DiphosphateCHEBI:28013D-fructose-1,6-diphosphateFBP
Show more names
FOLRFubpD3Ertd330e9530027K12RikAnti-Fubp1 antibody produced in goatfar upstream element (FUSE) binding protein 1β-D-Fructofuranose, 1,6-bis(dihydrogen phosphate)
beta-D-fructofuranose 1,6-bis(dihydrogen phosphate)fructose-1,6-bisphosphateD-Fructose-1,6-diphosphate magnesium saltD-Fructose 1,6-biphosphateNCGC00166321-01Esafosfanbeta-D-Fructose-1,6-diphosphate132418-66-7
Database identifiers
- CAS
34378-77-3、34693-15-7、488-69-7- PubChem CID
- 10267
- DTXSID
Properties
Computed structural properties
- XLogP
- -5.6
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 428
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Solubility94 mg/mL
Physical DescriptionSolid
Collision Cross Section
196.6 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
157.51 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
197.1 Ų [M-2H+Na]-
Physicochemical properties
- Boiling point
- 722.6 · 722.6±70.0 °C(Predicted)
- Density
- 2.095 · 2.095±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 1.86 · 1.86±0.10(Predicted)
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
Metabolite PathwaysFanconi-bickel syndrome
Additional notes
DefinitionChEBI: Beta-D-fructofuranose 1,6-bisphosphate is a D-fructofuranose 1,6-bisphosphate with a beta-configuration at the anomeric position. It has a role as a mouse metabolite. It is functionally related to a beta-D-fructofuranose. It is a conjugate acid of a beta-D-fructofuranose 1,6-bisphosphate(4-).
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