ChemSpider 2D Image | (2S)-2-(Methylamino)-3-oxobutyl dihydrogen phosphate | C5H12NO5P

(2S)-2-(Methylamino)-3-oxobutyl dihydrogen phosphate

  • Molecular FormulaC5H12NO5P
  • Average mass197.126 Da
  • Monoisotopic mass197.045303 Da
  • ChemSpider ID28530493

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Methylamino)-3-oxobutyl dihydrogen phosphate [ACD/IUPAC Name]
(2S)-2-(Methylamino)-3-oxobutyldihydrogenphosphat [German] [ACD/IUPAC Name]
2-Butanone, 3-(methylamino)-4-(phosphonooxy)-, (3S)- [ACD/Index Name]
Dihydrogénophosphate de (2S)-2-(méthylamino)-3-oxobutyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 383.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.3±6.0 kJ/mol
Flash Point: 185.5±30.7 °C
Index of Refraction: 1.478
Molar Refractivity: 40.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.50
ACD/LogD (pH 5.5): -4.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 142.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement