ChemSpider 2D Image | 2-(2,5-Dihydroxy-3-methyl-1H-pyrrol-1-yl)-3-phosphonopropanoic acid | C8H12NO7P

2-(2,5-Dihydroxy-3-methyl-1H-pyrrol-1-yl)-3-phosphonopropanoic acid

  • Molecular FormulaC8H12NO7P
  • Average mass265.157 Da
  • Monoisotopic mass265.035126 Da
  • ChemSpider ID86938881

More details:

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

1H-Pyrrole-1-acetic acid, 2,5-dihydroxy-3-methyl-α-(phosphonomethyl)- [ACD/Index Name]
2-(2,5-Dihydroxy-3-methyl-1H-pyrrol-1-yl)-3-phosphonopropanoic acid [ACD/IUPAC Name]
2-(2,5-Dihydroxy-3-methyl-1H-pyrrol-1-yl)-3-phosphonopropansäure [German] [ACD/IUPAC Name]
Acide 2-(2,5-dihydroxy-3-méthyl-1H-pyrrol-1-yl)-3-phosphonopropanoïque [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 660.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 353.5±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 53.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -5.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 92.1±7.0 dyne/cm
Molar Volume: 144.3±7.0 cm3

Click to predict properties on the Chemicalize site


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