myo-Inositol, tetrakis(dihydrogen phosphate)

Base Information

• Chemical Name: myo-Inositol, tetrakis(dihydrogen phosphate)
• CAS No.: 27121-72-8
• Molecular Formula: C6H16O18P4
• Molecular Weight: 652.44
• DSSTox Substance ID: DTXSID90869527
• Nikkaji Number: J574.477F
• ChEMBL ID: CHEMBL1207087
• Mol file: 27121-72-8.mol

Synonyms:myo-Inositol, tetrakis(dihydrogen phosphate);SCHEMBL9439624;CHEMBL1207087;DTXSID90869527;myo-Inositol 1,2,4,5-tetrakisphosphate;PD053090

Chemical Property of myo-Inositol, tetrakis(dihydrogen phosphate)

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1015.6°Cat760mmHg
• Flash Point: 568°C
• PSA: 358.06000
• Density: 2.32g/cm³
• LogP: -1.61380
• XLogP3: -8.1
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 8
• Exact Mass: 499.92871165
• Heavy Atom Count: 28
• Complexity: 604

Purity/Quality:

95% ^*data from raw suppliers

D-INS 1,3,4,5-TETRAKISPHOSPHATE TETRAPOTASSIUM SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O
• Isomeric SMILES: [C@H]1([C@@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O

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