ChemSpider 2D Image | (2R,5S)-5-{[4-(Methylsulfonyl)-1-piperazinyl]carbonyl}tetrahydro-2-furancarboxylic acid (non-preferred name) | C11H18N2O6S

(2R,5S)-5-{[4-(Methylsulfonyl)-1-piperazinyl]carbonyl}tetrahydro-2-furancarboxylic acid (non-preferred name)

  • Molecular FormulaC11H18N2O6S
  • Average mass306.335 Da
  • Monoisotopic mass306.088562 Da
  • ChemSpider ID51761260

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,5S)-5-{[4-(Methylsulfonyl)-1-piperazinyl]carbonyl}tetrahydro-2-furancarbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2R,5S)-5-{[4-(Methylsulfonyl)-1-piperazinyl]carbonyl}tetrahydro-2-furancarboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2R,5S)-5-{[4-(méthylsulfonyl)-1-pipérazinyl]carbonyl}tétrahydro-2-furanecarboxylique (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 579.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 94.8±6.0 kJ/mol
Flash Point: 304.4±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 68.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -3.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 204.6±5.0 cm3

Click to predict properties on the Chemicalize site


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