ITPP (Myo-Inositol Tripyrophosphate)

CAS: 802590-64-3 
Other Names:ITPP; myo-Inositol 1,6:2,3:4,5 tripyrophosphate

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Registry Number:            802590-64-3
Formula:                        C6 H12 O21 P6
CA Index Name:             myo-Inositol, cyclic 1,2:3,4:5,6-tris(P,P\'-dihydrogen diphosphate)
Other Names:                 ITPP; myo-Inositol 1,6:2,3:4,5 tripyrophosphate
-- Properties --
Property                          Value                      Condition
Boiling Point                 862.3±75.0 °C          Press: 760 Torr
Carbon-13 NMR             See spectrum
Spectrum 
Density                          2.41±0.1 g/cm3      Temp: 20 °C
                                                                 Press: 760 Torr 
Enthalpy of                   136.00±6.0 kJ/mol    Press: 760 Torr
Vaporization                                                                        
Flash Point                   475.3±37.1 °C 
Freely Rotatable Bonds 0 
H Acceptors                  21   
H Donors                       6 
H Donor/Acceptor Sum 27      
Molar Volume               250.7±5.0 cm3/molTemp: 20 °C  
                                                               Press: 760 Torr  
Molecular Weight          605.99  
pKa                               0.30±0.20                Most Acidic 
                                                                     Temp: 25 °C
Polar Surface Area        366 A2
Proton NMR SpectrumSee spectrum  
Vapor Pressure             5.87E-33 Torr           Temp: 25 °C