ChemSpider 2D Image | (3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl 3-[2-(4-morpholinyl)ethyl]-1-azetidinecarboxylate | C26H42N2O6

(3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl 3-[2-(4-morpholinyl)ethyl]-1-azetidinecarboxylate

  • Molecular FormulaC26H42N2O6
  • Average mass478.621 Da
  • Monoisotopic mass478.304291 Da
  • ChemSpider ID81368488

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl 3-[2-(4-morpholinyl)ethyl]-1-azetidinecarboxylate [ACD/IUPAC Name]
(3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl-3-[2-(4-morpholinyl)ethyl]-1-azetidincarboxylat [German] [ACD/IUPAC Name]
1-Azetidinecarboxylic acid, 3-[2-(4-morpholinyl)ethyl]-, (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester [ACD/Index Name]
3-[2-(4-Morpholinyl)éthyl]-1-azétidinecarboxylate de (3R,4S,5S,6R)-5-méthoxy-4-[(2R,3R)-2-méthyl-3-(3-méthyl-2-butén-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yle [French] [ACD/IUPAC Name]
2082752-83-6 [RN]
Aclimostat

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

Density: 1.2±0.1 g/cm3
Boiling Point: 571.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.6±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.93
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 10.76
ACD/KOC (pH 7.4): 154.51
Polar Surface Area: 76 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 397.4±5.0 cm3

Click to predict properties on the Chemicalize site


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