ChemSpider 2D Image | (3R)-3-(Phosphonooxy)butanoic acid | C4H9O6P

(3R)-3-(Phosphonooxy)butanoic acid

  • Molecular FormulaC4H9O6P
  • Average mass184.084 Da
  • Monoisotopic mass184.013672 Da
  • ChemSpider ID25057797
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-3-(Phosphonooxy)butanoic acid [ACD/IUPAC Name]
(3R)-3-(Phosphonooxy)butansäure [German] [ACD/IUPAC Name]
Acide (3R)-3-(phosphonooxy)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-(phosphonooxy)-, (3R)- [ACD/Index Name]
3PB

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

Density: 1.6±0.1 g/cm3
Boiling Point: 424.3±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±6.0 kJ/mol
Flash Point: 210.4±29.3 °C
Index of Refraction: 1.499
Molar Refractivity: 33.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.44
ACD/LogD (pH 5.5): -5.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 72.4±3.0 dyne/cm
Molar Volume: 115.1±3.0 cm3

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