ChemSpider 2D Image | 1-[(Isobutylsulfonyl)acetyl]-D-proline | C11H19NO5S

1-[(Isobutylsulfonyl)acetyl]-D-proline

  • Molecular FormulaC11H19NO5S
  • Average mass277.337 Da
  • Monoisotopic mass277.098389 Da
  • ChemSpider ID53809225

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(Isobutylsulfonyl)acetyl]-D-prolin [German] [ACD/IUPAC Name]
1-[(Isobutylsulfonyl)acetyl]-D-proline [ACD/IUPAC Name]
1-[2-(Isobutylsulfonyl)acétyl]-D-proline [French] [ACD/IUPAC Name]
D-Proline, 1-[2-[(2-methylpropyl)sulfonyl]acetyl]- [ACD/Index Name]
(2R)-1-[2-(2-METHYLPROPANESULFONYL)ACETYL]PYRROLIDINE-2-CARBOXYLIC ACID

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

Density: 1.3±0.1 g/cm3
Boiling Point: 550.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.8±6.0 kJ/mol
Flash Point: 286.5±28.7 °C
Index of Refraction: 1.533
Molar Refractivity: 65.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -2.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 210.7±3.0 cm3

Click to predict properties on the Chemicalize site


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