Home > Compound List > Compound details
102783-56-2 molecular structure
click picture or here to close

dilithium(1+) ion 1-hydroxy-3-(phosphonatooxy)propan-2-one

ChemBase ID: 133333
Molecular Formular: C3H5Li2O6P
Molecular Mass: 181.923961
Monoisotopic Mass: 182.01438361
SMILES and InChIs

SMILES:
[Li+].[Li+].C(C(=O)COP(=O)([O-])[O-])O
Canonical SMILES:
OCC(=O)COP(=O)([O-])[O-].[Li+].[Li+]
InChI:
InChI=1S/C3H7O6P.2Li/c4-1-3(5)2-9-10(6,7)8;;/h4H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2
InChIKey:
QWIKESRFRWLYIA-UHFFFAOYSA-L

Cite this record

CBID:133333 http://www.chembase.cn/molecule-133333.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dilithium(1+) ion 1-hydroxy-3-(phosphonatooxy)propan-2-one
IUPAC Traditional name
dilithium(1+) ion dihydroxyacetone phosphate
Synonyms
1,3-Dihydroxy-2-propanone 1-phosphate dilithium salt
1-Hydroxy-3-(phosphonooxy)-2-propanone dilithium salt
DHAP
Dihydroxyacetone phosphate dilithium salt
Dihydroxyacetone phosphate lithium salt
CAS Number
102783-56-2
MDL Number
MFCD00077731
Beilstein Number
1708891
PubChem SID
24894082
162227610
PubChem CID
16219272

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16219272 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.1902796  H Acceptors
H Donor LogD (pH = 5.5) -4.098508 
LogD (pH = 7.4) -5.2087917  Log P -1.6517823 
Molar Refractivity 28.2287 cm3 Polarizability 12.113257 Å3
Polar Surface Area 109.72 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble10 mg/mL, clear, faintly yellow expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
~95% (enzymatic) expand Show data source
≥93% (enzymatic) expand Show data source
≥95.0% (TLC) expand Show data source
Impurities
~0.2 mol % D-glyceraldehyde 3-phosphate expand Show data source
≤0.2% D-glyceraldehyde-3-phosphate expand Show data source
≤2% solvent expand Show data source
Antion Traces
phosphate (PO43-): ~5 mol % expand Show data source
Empirical Formula (Hill Notation)
C3H5Li2O6P expand Show data source
C3H7O6P · xLi+ expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D7137 external link
Caution
Unlike the dimethyl ketal, does not require hydrolysis prior to use as a substrate.
包装
10 mg in autosmp vl
Preparation Note
Enzymatically prepared.
Application
Dihydroxyacetone phosphate (DHAP) is used in studies on the effects of fructose metabolism and processes such as glycation on health. DHAP is used in studies involving the metabolism of three-carbon sugar pools and their roles in physiological and physical processes.
Biochem/physiol Actions
Dihydroxyacetone phosphate (DHAP) is a metabolic intermediate involved in many pathways, including glycolysis, gluconeogenesis, glycerol metabolism, phosphatidic acid synthesis, fat metabolism, and the Calvin cycle.
Sigma Aldrich - 37442 external link
Analysis Note
may contain up to 2-mol-equivalents water
Sigma Aldrich - 37440 external link
Other Notes
Substrate for the assay of triosephosphate isomerase1
Biochem/physiol Actions
Dihydroxyacetone phosphate (DHAP) is a metabolic intermediate involved in many pathways, including glycolysis, gluconeogenesis, glycerol metabolism, phosphatidic acid synthesis, fat metabolism, and the Calvin cycle.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle