ChemSpider 2D Image | (2E)-N-Isobutyl-3-[(1S,1'R,1''R,1'''R,1''''R,2S,2'S,2''S,2'''S,2''''R)-2''''-{2-[(1S,2R)-2-methylcyclopropyl]vinyl}-1,1':2',1'':2'',1''':2''',1''''-quinque(cyclopropan)-2-yl]acrylamide | C28H41NO

(2E)-N-Isobutyl-3-[(1S,1'R,1''R,1'''R,1''''R,2S,2'S,2''S,2'''S,2''''R)-2''''-{2-[(1S,2R)-2-methylcyclopropyl]vinyl}-1,1':2',1'':2'',1''':2''',1''''-quinque(cyclopropan)-2-yl]acrylamide

  • Molecular FormulaC28H41NO
  • Average mass407.631 Da
  • Monoisotopic mass407.318817 Da
  • ChemSpider ID66423989

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2E)-N-Isobutyl-3-[(1S,1'R,1''R,1'''R,1''''R,2S,2'S,2''S,2'''S,2''''R)-2''''-{2-[(1S,2R)-2-methylcyclopropyl]vinyl}-1,1':2',1'':2'',1''':2''',1''''-quinque(cyclopropan)-2-yl]acrylamid [German] [ACD/IUPAC Name]
(2E)-N-Isobutyl-3-[(1S,1'R,1''R,1'''R,1''''R,2S,2'S,2''S,2'''S,2''''R)-2''''-{2-[(1S,2R)-2-methylcyclopropyl]vinyl}-1,1':2',1'':2'',1''':2''',1''''-quinque(cyclopropan)-2-yl]acrylamide [ACD/IUPAC Name]
(2E)-N-Isobutyl-3-[(1S,1'R,1''R,1'''R,1''''R,2S,2'S,2''S,2'''S,2''''R)-2''''-{2-[(1S,2R)-2-méthylcyclopropyl]vinyl}-1,1':2',1'':2'',1''':2''',1''''-quinque(cyclopropan)-2-yl]acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-[(1S,1'R,1''R,1'''R,1''''R,2S,2'S,2''S,2'''S,2''''R)-2''''-[2-[(1S,2R)-2-methylcyclopropyl]ethenyl][1,1':2',1'':2'',1''':2''',1''''-quinquecyclopropan]-2-yl]-N-(2-methylpropyl)-, (2E) - [ACD/Index Name]
U-106305

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 334.3±7.6 °C
Index of Refraction: 1.719
Molar Refractivity: 128.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 6.30
ACD/BCF (pH 5.5): 36195.64
ACD/KOC (pH 5.5): 63777.78
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 36195.64
ACD/KOC (pH 7.4): 63777.78
Polar Surface Area: 29 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 325.8±3.0 cm3

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