Basic information
- CAS
4429-47-4- Standard SMILES
O=P(O)(O)OCC1OC(COP(=O)(O)O)C(O)C1O- InChIKey
WSMBXSQDFPTODV-UHFFFAOYSA-N- Molecular formula
- C6H14O11P2
- Average molar mass
- 324.12 g/mol
- Monoisotopic mass
- 324.00113525
Names & identifiers
- Preferred name
- 2,5-Anhydro-D-glucitol-1,6-diphosphate
- IUPAC
- [3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
- English name
- 2,5-Anhydro-D-glucitol-1,6-diphosphate
- Molecular formula
- C6H14O11P2
- Molecular weight
- 324.12
Names & synonyms
2,5-Anhydro-D-glucitol-1,6-diphosphate[(2S,3S,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphatePD042302Glucose Impurity 6Vecabrutinib Impurity 20D-Fructose-1,6-diphosphat2,5-anhydro-D-glucitol 1,6-Bis(dihydrogen phosphate)D-Glucitol, 2,5-anhydro-, 1,6-bis(dihydrogen phosphate)9-((2R,3R,4R,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-(2-methoxyethoxy)tetrahydrofuran-2-yl)-6-oxo-6,9-dihydro-1H-purin
Database identifiers
- CAS
4429-47-4- PubChem CID
- 1495
- EC Number
- 977-151-2
Properties
Computed structural properties
- XLogP
- -4.8
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 705.2 · 705.2±70.0 °C(Predicted)
- Density
- 1.941 · 1.941±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Oil to Gel
- pka
- 1.55 · 1.55±0.10(Predicted)
- color
- Colourless to Brown
- Stability
- Hygroscopic
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Applications
UsesAn effective competitive inhibitor of phosphofructokinase (EC 2.7.1.11)
Suppliers18 total
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
深圳菲斯生物科技有限公司0755-83725681-603
湖北扬信医药科技有限公司15347293736 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
BOC Sciences
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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