ChemSpider 2D Image | 3-{(3S)-2-Oxo-6-[(1S,2S,3R)-1,2,3,4-tetrahydroxybutyl]-3-morpholinyl}propanamide | C11H20N2O7

3-{(3S)-2-Oxo-6-[(1S,2S,3R)-1,2,3,4-tetrahydroxybutyl]-3-morpholinyl}propanamide

  • Molecular FormulaC11H20N2O7
  • Average mass292.286 Da
  • Monoisotopic mass292.127045 Da
  • ChemSpider ID21782139

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

Agropine
3-{(3S)-2-Oxo-6-[(1S,2S,3R)-1,2,3,4-tetrahydroxybutyl]-3-morpholinyl}propanamid [German] [ACD/IUPAC Name]
3-{(3S)-2-Oxo-6-[(1S,2S,3R)-1,2,3,4-tetrahydroxybutyl]-3-morpholinyl}propanamide [ACD/IUPAC Name]
3-{(3S)-2-Oxo-6-[(1S,2S,3R)-1,2,3,4-tétrahydroxybutyl]-3-morpholinyl}propanamide [French] [ACD/IUPAC Name]
3-Morpholinepropanamide, 2-oxo-6-[(1S,2S,3R)-1,2,3,4-tetrahydroxybutyl]-, (3S)- [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: 760.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.3±6.0 kJ/mol
Flash Point: 413.7±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 65.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -4.97
ACD/LogD (pH 5.5): -4.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 204.3±3.0 cm3

Click to predict properties on the Chemicalize site


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