ChemSpider 2D Image | 1,3-Dihydroxy-2-iminopropyl dihydrogen phosphate | C3H8NO6P

1,3-Dihydroxy-2-iminopropyl dihydrogen phosphate

  • Molecular FormulaC3H8NO6P
  • Average mass185.072 Da
  • Monoisotopic mass185.008926 Da
  • ChemSpider ID95702626

More details:






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

1,1,3-Propanetriol, 2-imino-, 1-(dihydrogen phosphate) [ACD/Index Name]
1,3-Dihydroxy-2-iminopropyl dihydrogen phosphate [ACD/IUPAC Name]
1,3-Dihydroxy-2-iminopropyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 1,3-dihydroxy-2-iminopropyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 522.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 269.9±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 30.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.86
ACD/LogD (pH 5.5): -5.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 12.2±0.5 10-24cm3
Surface Tension: 114.2±7.0 dyne/cm
Molar Volume: 90.9±7.0 cm3

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