ChemSpider 2D Image | (2R)-3-(Phosphonoacetyl)-1,2,5,6-tetrahydro-2-pyridinecarboxylic acid | C8H12NO6P

(2R)-3-(Phosphonoacetyl)-1,2,5,6-tetrahydro-2-pyridinecarboxylic acid

  • Molecular FormulaC8H12NO6P
  • Average mass249.158 Da
  • Monoisotopic mass249.040222 Da
  • ChemSpider ID18712316

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-(Phosphonoacetyl)-1,2,5,6-tetrahydro-2-pyridincarbonsäure [German] [ACD/IUPAC Name]
(2R)-3-(Phosphonoacetyl)-1,2,5,6-tetrahydro-2-pyridinecarboxylic acid [ACD/IUPAC Name]
(2R)-3-(phosphonoacetyl)-1,2,5,6-tetrahydropyridine-2-carboxylic acid
2-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-3-(2-phosphonoacetyl)-, (2R)- [ACD/Index Name]
Acide (2R)-3-(2-phosphonoacétyl)-1,2,5,6-tétrahydro-2-pyridinecarboxylique [French] [ACD/IUPAC Name]
(R)-3-(2-Phosphono-acetyl)-1,2,5,6-tetrahydro-pyridine-2-carboxylic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 586.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 95.7±6.0 kJ/mol
Flash Point: 308.4±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 51.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.58
ACD/LogD (pH 5.5): -5.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 77.2±3.0 dyne/cm
Molar Volume: 156.4±3.0 cm3

Click to predict properties on the Chemicalize site


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