ChemSpider 2D Image | 1-[2-(Tetrahydro-2H-pyran-4-ylsulfonyl)propanoyl]-D-proline | C13H21NO6S

1-[2-(Tetrahydro-2H-pyran-4-ylsulfonyl)propanoyl]-D-proline

  • Molecular FormulaC13H21NO6S
  • Average mass319.374 Da
  • Monoisotopic mass319.108948 Da
  • ChemSpider ID57647454

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-[2-(Tetrahydro-2H-pyran-4-ylsulfonyl)propanoyl]-D-prolin [German] [ACD/IUPAC Name]
1-[2-(Tetrahydro-2H-pyran-4-ylsulfonyl)propanoyl]-D-proline [ACD/IUPAC Name]
1-[2-(Tétrahydro-2H-pyran-4-ylsulfonyl)propanoyl]-D-proline [French] [ACD/IUPAC Name]
D-Proline, 1-[1-oxo-2-[(tetrahydro-2H-pyran-4-yl)sulfonyl]propyl]- [ACD/Index 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: 619.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 328.7±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 74.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 231.3±5.0 cm3

Click to predict properties on the Chemicalize site


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