ChemSpider 2D Image | 2,3-Bis{[(1E,4E,7E,10E,13E,16E,19E)-1-hydroxy-1,4,7,10,13,16,19-docosaheptaen-1-yl]oxy}propyl 2,3-dihydroxypropyl hydrogen phosphate | C50H75O10P

2,3-Bis{[(1E,4E,7E,10E,13E,16E,19E)-1-hydroxy-1,4,7,10,13,16,19-docosaheptaen-1-yl]oxy}propyl 2,3-dihydroxypropyl hydrogen phosphate

  • Molecular FormulaC50H75O10P
  • Average mass867.098 Da
  • Monoisotopic mass866.509766 Da
  • ChemSpider ID95650320

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,3-Bis{[(1E,4E,7E,10E,13E,16E,19E)-1-hydroxy-1,4,7,10,13,16,19-docosaheptaen-1-yl]oxy}propyl 2,3-dihydroxypropyl hydrogen phosphate [ACD/IUPAC Name]
2,3-Bis{[(1E,4E,7E,10E,13E,16E,19E)-1-hydroxy-1,4,7,10,13,16,19-docosaheptaen-1-yl]oxy}propyl-2,3-dihydroxypropylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de 2,3-bis{[(1E,4E,7E,10E,13E,16E,19E)-1-hydroxy-1,4,7,10,13,16,19-docosaheptaén-1-yl]oxy}propyle et de 2,3-dihydroxypropyle [French] [ACD/IUPAC Name]
Phosphoric acid, 2,3-bis[[(1E,4E,7E,10E,13E,16E,19E)-1-hydroxy-1,4,7,10,13,16,19-docosaheptaen-1-yl]oxy]propyl 2,3-dihydroxypropyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 905.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.4±6.0 kJ/mol
Flash Point: 501.2±37.1 °C
Index of Refraction: 1.550
Molar Refractivity: 255.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 4
ACD/LogP: 12.87
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 1720.33
ACD/KOC (pH 5.5): 768.63
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 1418.95
ACD/KOC (pH 7.4): 633.97
Polar Surface Area: 165 Å2
Polarizability: 101.3±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 802.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement