ChemSpider 2D Image | [(1S)-1-(2,5-Dihydroxy-1H-pyrrol-1-yl)propyl]phosphonic acid | C7H12NO5P

[(1S)-1-(2,5-Dihydroxy-1H-pyrrol-1-yl)propyl]phosphonic acid

  • Molecular FormulaC7H12NO5P
  • Average mass221.148 Da
  • Monoisotopic mass221.045303 Da
  • ChemSpider ID91262844

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1S)-1-(2,5-Dihydroxy-1H-pyrrol-1-yl)propyl]phosphonic acid [ACD/IUPAC Name]
[(1S)-1-(2,5-Dihydroxy-1H-pyrrol-1-yl)propyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [(1S)-1-(2,5-dihydroxy-1H-pyrrol-1-yl)propyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [(1S)-1-(2,5-dihydroxy-1H-pyrrol-1-yl)propyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 522.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 269.8±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 47.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -4.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 78.1±7.0 dyne/cm
Molar Volume: 133.6±7.0 cm3

Click to predict properties on the Chemicalize site


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