ChemSpider 2D Image | 2-Piperazinecarboxylic acid, 4-(3-phosphono-2-propenyl)-, [S-(E)]- | C8H15N2O5P

2-Piperazinecarboxylic acid, 4-(3-phosphono-2-propenyl)-, [S-(E)]-

  • Molecular FormulaC8H15N2O5P
  • Average mass250.189 Da
  • Monoisotopic mass250.071854 Da
  • ChemSpider ID103882026

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-[(2E)-3-Phosphono-2-propen-1-yl]-2-piperazincarbonsäure [German] [ACD/IUPAC Name]
(2S)-4-[(2E)-3-Phosphono-2-propen-1-yl]-2-piperazinecarboxylic acid [ACD/IUPAC Name]
126330-85-6 [RN]
2-Piperazinecarboxylic acid, 4-(3-phosphono-2-propenyl)-, [S-(E)]-
2-Piperazinecarboxylic acid, 4-[(2E)-3-phosphono-2-propen-1-yl]-, (2S)- [ACD/Index Name]
Acide (2S)-4-[(2E)-3-phosphono-2-propén-1-yl]-2-pipérazinecarboxylique [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: 555.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 91.5±6.0 kJ/mol
Flash Point: 289.8±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 55.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.85
ACD/LogD (pH 5.5): -5.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 172.7±3.0 cm3

Click to predict properties on the Chemicalize site


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