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Dihydroxyacetone phosphate hemimagnesium salt hydrate - ≥95%, high purity , CAS No.57-04-5
Cas Number: 57-04-5
Molecular Weight: 170.06
PubChem CID:
668
Basic Description
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Monosaccharides
Direct Parent
Monosaccharide phosphates
Alternative Parents
Glycerone phosphates Monoalkyl phosphates Alpha-hydroxy ketones Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Glycerone phosphate - Monosaccharide phosphate - Monoalkyl phosphate - Alkyl phosphate - Glycerone or derivatives - Phosphoric acid ester - Organic phosphoric acid derivative - Alpha-hydroxy ketone - Ketone - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
External Descriptors
glycerone phosphates
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(3-hydroxy-2-oxopropyl) dihydrogen phosphate
INCHI
InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)
InChIKey
GNGACRATGGDKBX-UHFFFAOYSA-N
Smiles
C(C(=O)COP(=O)(O)O)O
Isomeric SMILES
C(C(=O)COP(=O)(O)O)O
PubChem CID
668
Molecular Weight
170.06
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
170.060 g/mol
XLogP3
-2.500
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
4
Exact Mass
169.998 Da
Monoisotopic Mass
169.998 Da
Topological Polar Surface Area
104.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
158.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
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
Citations of This Product
1.
Danling Liang, Tianqiao Yong, Shaodan Chen, Yizhen Xie, Diling Chen, Xinxin Zhou, Dan Li, Muxia Li, Lu Su, Dan Zuo.
(2018)
Hypouricemic Effect of 2,5-Dihydroxyacetophenone, a Computational Screened Bioactive Compound from Ganoderma applanatum, on Hyperuricemic Mice. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,
19
(5):
(1394).
2.
Tao Han, Ye Jiang, Weixing Ge, Yuyu Lu, Rongming Liu, Zunpeng Sun.
(2024)
2,5-Dihydroxyacetophenone attenuates acute kidney injury induced by intra-abdominal infection in rats. NEPHROLOGY,
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2 Citations