ChemSpider 2D Image | (2R,3R,4S,5R,6E)-N-[3-(2-Furyl)-3-phenylpropyl]-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenamide | C25H35NO6

(2R,3R,4S,5R,6E)-N-[3-(2-Furyl)-3-phenylpropyl]-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenamide

  • Molecular FormulaC25H35NO6
  • Average mass445.548 Da
  • Monoisotopic mass445.246429 Da
  • ChemSpider ID28665941

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2R,3R,4S,5R,6E)-N-[3-(2-Furyl)-3-phenylpropyl]-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenamid [German] [ACD/IUPAC Name]
(2R,3R,4S,5R,6E)-N-[3-(2-Furyl)-3-phenylpropyl]-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenamide [ACD/IUPAC Name]
(2R,3R,4S,5R,6E)-N-[3-(2-Furyl)-3-phénylpropyl]-3,4,5-trihydroxy-2-méthoxy-8,8-diméthyl-6-nonénamide [French] [ACD/IUPAC 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: 666.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 356.6±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 122.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 169.80
ACD/KOC (pH 5.5): 1373.41
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.80
ACD/KOC (pH 7.4): 1373.41
Polar Surface Area: 112 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 383.5±3.0 cm3

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