ChemSpider 2D Image | 4-[(1,1-Dioxidotetrahydro-2H-thiopyran-2-yl)carbonyl]-3-morpholinecarboxylic acid | C11H17NO6S

4-[(1,1-Dioxidotetrahydro-2H-thiopyran-2-yl)carbonyl]-3-morpholinecarboxylic acid

  • Molecular FormulaC11H17NO6S
  • Average mass291.321 Da
  • Monoisotopic mass291.077667 Da
  • ChemSpider ID50508724

More details:






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

3-Morpholinecarboxylic acid, 4-[(tetrahydro-1,1-dioxido-2H-thiopyran-2-yl)carbonyl]- [ACD/Index Name]
4-[(1,1-Dioxidotetrahydro-2H-thiopyran-2-yl)carbonyl]-3-morpholincarbonsäure [German] [ACD/IUPAC Name]
4-[(1,1-Dioxidotetrahydro-2H-thiopyran-2-yl)carbonyl]-3-morpholinecarboxylic acid [ACD/IUPAC Name]
Acide 4-[(1,1-dioxydotétrahydro-2H-thiopyrane-2-yl)carbonyl]-3-morpholinecarboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 639.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 103.0±6.0 kJ/mol
Flash Point: 340.5±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 65.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.07
ACD/LogD (pH 5.5): -3.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 201.1±3.0 cm3

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