ChemSpider 2D Image | (3R,4R,5R,6R)-5-Methoxy-4-[(3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl [(2R)-1-amino-3-methyl-1-oxo-2-butanyl]carbamate | C22H36N2O6

(3R,4R,5R,6R)-5-Methoxy-4-[(3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl [(2R)-1-amino-3-methyl-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC22H36N2O6
  • Average mass424.531 Da
  • Monoisotopic mass424.257324 Da
  • ChemSpider ID114816662

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3R,4R,5R,6R)-5-Methoxy-4-[(3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl [(2R)-1-amino-3-methyl-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,4R,5R,6R)-5-Methoxy-4-[(3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl-[(2R)-1-amino-3-methyl-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2R)-1-Amino-3-méthyl-1-oxo-2-butanyl]carbamate de (3R,4R,5R,6R)-5-méthoxy-4-[(3R)-2-méthyl-3-(3-méthyl-2-butén-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-1-(aminocarbonyl)-2-methylpropyl]-, (3R,4R,5R,6R)-5-methoxy-4-[(3R)-2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 578.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.9±30.1 °C
Index of Refraction: 1.533
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.00
ACD/KOC (pH 5.5): 253.29
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.00
ACD/KOC (pH 7.4): 253.15
Polar Surface Area: 116 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 360.3±5.0 cm3

Click to predict properties on the Chemicalize site


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