2C-Methyl-D-erythritol 2,4-cyclodiphosphate

Base Information

• Chemical Name: 2C-Methyl-D-erythritol 2,4-cyclodiphosphate
• CAS No.: 143488-44-2
• Molecular Formula: C5H12 O9 P2
• Molecular Weight: 278.090902
• DSSTox Substance ID: DTXSID501123383
• Nikkaji Number: J726.915C,J1.317.663I
• Wikidata: Q27103069
• Metabolomics Workbench ID: 51273
• Mol file: 143488-44-2.mol

Synonyms:3-methyl-1,2,3,4-tetrahydroxybutane-1,3-cyclic bisphosphate;3-MTHBCP

Chemical Property of 2C-Methyl-D-erythritol 2,4-cyclodiphosphate

Chemical Property:

• Vapor Pressure: 2.32E-11mmHg at 25°C
• Boiling Point: 483.1°Cat760mmHg
• Flash Point: 246°C
• PSA: 162.37000
• Density: 1.79g/cm³
• LogP: -0.63750
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 277.99565595
• Heavy Atom Count: 16
• Complexity: 356

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(COP(=O)(OP(=O)(O1)O)O)O)CO
• Isomeric SMILES: C[C@@]1([C@@H](COP(=O)(OP(=O)(O1)O)O)O)CO