ChemSpider 2D Image | 2-(Phosphonooxy)alanine | C3H8NO6P

2-(Phosphonooxy)alanine

  • Molecular FormulaC3H8NO6P
  • Average mass185.072 Da
  • Monoisotopic mass185.008926 Da
  • ChemSpider ID61030297

More details:






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

2-(Phosphonooxy)alanin [German] [ACD/IUPAC Name]
2-(Phosphonooxy)alanine [ACD/IUPAC Name]
2-(Phosphonooxy)alanine [French] [ACD/IUPAC Name]
Alanine, 2-(phosphonooxy)- [ACD/Index Name]
1347957-00-9 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 425.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±6.0 kJ/mol
Flash Point: 211.2±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 32.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.32
ACD/LogD (pH 5.5): -5.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 100.4±3.0 dyne/cm
Molar Volume: 101.9±3.0 cm3

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