ChemSpider 2D Image | 2-Methyl 7-(2-methyl-2-propanyl) (1S,2S,3R,4S)-3-{[(3R,4S)-4-hydroxytetrahydro-3-furanyl]carbamoyl}-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate | C18H28N2O7

2-Methyl 7-(2-methyl-2-propanyl) (1S,2S,3R,4S)-3-{[(3R,4S)-4-hydroxytetrahydro-3-furanyl]carbamoyl}-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate

  • Molecular FormulaC18H28N2O7
  • Average mass384.424 Da
  • Monoisotopic mass384.189636 Da
  • ChemSpider ID64992308

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2S,3R,4S)-3-{[(3R,4S)-4-Hydroxytétrahydro-3-furanyl]carbamoyl}-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate de 2-méthyle et de 7-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
2-Methyl 7-(2-methyl-2-propanyl) (1S,2S,3R,4S)-3-{[(3R,4S)-4-hydroxytetrahydro-3-furanyl]carbamoyl}-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate [ACD/IUPAC Name]
2-Methyl-7-(2-methyl-2-propanyl)-(1S,2S,3R,4S)-3-{[(3R,4S)-4-hydroxytetrahydro-3-furanyl]carbamoyl}-7-azabicyclo[2.2.1]heptan-2,7-dicarboxylat [German] [ACD/IUPAC Name]
7-Azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid, 3-[[[(3R,4S)-tetrahydro-4-hydroxy-3-furanyl]amino]carbonyl]-, 7-(1,1-dimethylethyl) 2-methyl ester, (1S,2S,3R,4S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 587.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.6±6.0 kJ/mol
Flash Point: 308.8±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.52
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.52
Polar Surface Area: 114 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 293.1±5.0 cm3

Click to predict properties on the Chemicalize site


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