Basic information
- CAS
10139-18-1- Standard SMILES
O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
RWHOZGRAXYWRNX-VFUOTHLCSA-N- Molecular formula
- C6H14O12P2
- Average molar mass
- 340.12 g/mol
- Monoisotopic mass
- 339.99604915
Overview
Alpha-D-glucose 1,6-bisphosphate is a D-glucose 1,6-bisphosphate in which both phosphate groups are monophosphates. It has a role as an Escherichia coli metabolite and a human metabolite. It is functionally related to an alpha-D-glucose. It is a conjugate acid of an alpha-D-glucose 1,6-bisphosphate(4-).
Names & identifiers
- Preferred name
- Glucose 1,6-bisphosphate
- IUPAC
- [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
- English name
- alpha-D-glucose 1,6-bis(dihydrogen phosphate)
- Molecular formula
- C6H14O12P2
- Molecular weight
- 340.115682
Names & synonyms
alpha-D-Glucose 1,6-bisphosphateGlucose 1,6-bisphosphate10139-18-1Glucose 1,6-diphosphateglucose-1,6-bisphosphatealpha-D-Glucose 1,6-bis(dihydrogen phosphate)DRX17R6AM2alpha-D-glucopyranose, 1,6-bis(dihydrogen phosphate)alpha-D-Glucose 1,6-biphosphateglucose-1,6-diphosphateCHEBI:18148DTXSID801014547
Show more names
C00660D-Glucose 1,6-bisphosphateα-D-Glucopyranose 1,6-bisphosphoric acidα-D-Glucopyranose, 1,6-bis(dihydrogen phosphate)[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxyphosphonic acid(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
RefChem:555625DTXCID301437120(((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(phosphonooxy)oxan-2-yl)methoxy)phosphonic acid233-395-51,6-di-O-phosphono-alpha-D-glucopyranosealpha-D-Glucose 1,6-diphosphateD-Glucose 1,6-biphosphateD-Glucose 1,6-diphosphate
Properties
Computed structural properties
- XLogP
- -5.3
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 414
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP-4.374
Physical DescriptionSolid
Collision Cross Section159.11 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physicochemical properties
- Boiling point
- 733.2 · 733.2±70.0 °C(Predicted)
- Density
- 2.05 · 2.05±0.1 g/cm3(Predicted)
- pka
- 1.73 · 1.73±0.10(Predicted)
- FDA UNII
- 17 R6AM2 · DRX17R6AM2
- EPA Substance Registry System
- 1 · .alpha.-D-Glucopyranose, 1,6-bis(dihydrogen phosphate) (10139-18-1)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Metabolite PathwaysGlycogen synthetase deficiency
Uses & manufacturing
General Manufacturing Information.alpha.-D-Glucopyranose, 1,6-bis(dihydrogen phosphate): ACTIVE
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
Additional notes
DefinitionChEBI: A D-glucose 1,6-bisphosphate in which both phosphate groups are monophosphates.
Related reactions
5 records
Compound notes
Loading…