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2,5-Anhydro-D-glucitol-1,6-diphosphate - 97%, high purity , CAS No.4429-47-4
an effective competitive inhibitor of phosphofructokinase.
Basic Description
Synonyms
2,5-Anhydro-D-glucitol-1,6-diphosphate is known as a phosphofructokinase inhibitor | 2,5-anhydro-D-glucitol 1,6-Bis(dihydrogen phosphate) | 2,5-Anhydroglucitol 1,6-Bisphosphate
Specifications & Purity
≥97%
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
2,5-Anhydro-D-glucitol-1,6-diphosphate is an effective competitive inhibitor of PFK (phosphofructokinase).
application：
An effective competitive inhibitor of phosphofructokinase (EC 2.7.1.11).
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Monosaccharides - Pentoses
Direct Parent
Pentose phosphates
Alternative Parents
C-glycosyl compounds Monosaccharide phosphates Monoalkyl phosphates Tetrahydrofurans Secondary alcohols 1,2-diols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Pentose phosphate - Pentose-5-phosphate - C-glycosyl compound - Glycosyl compound - Monosaccharide phosphate - Monoalkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Alkyl phosphate - Tetrahydrofuran - Secondary alcohol - 1,2-diol - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Hydrocarbon derivative - Organic oxide - Alcohol - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
[(2R,3S,4S,5S)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
INCHI
InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1
InChIKey
WSMBXSQDFPTODV-JGWLITMVSA-N
Smiles
C(C1C(C(C(O1)COP(=O)(O)O)O)O)OP(=O)(O)O
Isomeric SMILES
C([C@@H]1[C@H]([C@@H]([C@@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O
Molecular Weight
324.12
Reaxy-Rn
25435733
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25435733&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water, and methanol.
Sensitivity
Moisture sensitive
Refractive Index
n20D1.59 (Predicted)
Boil Point(°C)
~705.2° C at 760 mmHg (Predicted)
Melt Point(°C)
90.27° C (Predicted)
Molecular Weight
324.120 g/mol
XLogP3
-4.800
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
11
Rotatable Bond Count
6
Exact Mass
324.001 Da
Monoisotopic Mass
324.001 Da
Topological Polar Surface Area
183.000 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
351.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
4
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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