ChemSpider 2D Image | N-[(3beta)-Con-5-enin-3-yl]-N-methyl-D-isoleucinamide | C29H49N3O

N-[(3β)-Con-5-enin-3-yl]-N-methyl-D-isoleucinamide

  • Molecular FormulaC29H49N3O
  • Average mass455.719 Da
  • Monoisotopic mass455.387573 Da
  • ChemSpider ID23331142

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

N-[(3β)-Con-5-enin-3-yl]-N-methyl-D-isoleucinamid [German] [ACD/IUPAC Name]
N-[(3β)-Con-5-enin-3-yl]-N-methyl-D-isoleucinamide [ACD/IUPAC Name]
N-[(3β)-Con-5-énin-3-yl]-N-méthyl-D-isoleucinamide [French] [ACD/IUPAC Name]
Pentanamide, 2-amino-N-[(3β)-con-5-enin-3-yl]-N,3-dimethyl-, (2R,3R)- [ACD/Index Name]
2-Amino-3-(R)-methyl-pentanoicacidmethyl-((3S,3aS,5aS,5bR,9S,11aR,11bS,13aR)-2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-2-aza-pentaleno[1,6a-a]phenanthren-9-yl)-amide
Conessine analogue, 13b

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 568.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.5±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.82
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 3.70
ACD/KOC (pH 7.4): 9.87
Polar Surface Area: 50 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 421.1±5.0 cm3

Click to predict properties on the Chemicalize site


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