ChemSpider 2D Image | 1-{[4-(Methoxycarbonyl)-5-methyl-2-furyl]sulfonyl}-L-proline | C12H15NO7S

1-{[4-(Methoxycarbonyl)-5-methyl-2-furyl]sulfonyl}-L-proline

  • Molecular FormulaC12H15NO7S
  • Average mass317.315 Da
  • Monoisotopic mass317.056915 Da
  • ChemSpider ID54273421

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{[4-(Methoxycarbonyl)-5-methyl-2-furyl]sulfonyl}-L-prolin [German] [ACD/IUPAC Name]
1-{[4-(Methoxycarbonyl)-5-methyl-2-furyl]sulfonyl}-L-proline [ACD/IUPAC Name]
1-{[4-(Méthoxycarbonyl)-5-méthyl-2-furyl]sulfonyl}-L-proline [French] [ACD/IUPAC Name]
L-Proline, 1-[[4-(methoxycarbonyl)-5-methyl-2-furanyl]sulfonyl]- [ACD/Index Name]
(2S)-1-[4-(METHOXYCARBONYL)-5-METHYLFURAN-2-YLSULFONYL]PYRROLIDINE-2-CARBOXYLIC ACID
(2S)-1-{[4-(METHOXYCARBONYL)-5-METHYLFURAN-2-YL]SULFONYL}PYRROLIDINE-2-CARBOXYLIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 524.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 271.0±32.9 °C
Index of Refraction: 1.565
Molar Refractivity: 70.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.58
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 216.3±3.0 cm3

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