ChemSpider 2D Image | (2R,3R,4S,5R,6E)-N-(2,3-Dihydro-1H-inden-2-yl)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenamide | C21H31NO5

(2R,3R,4S,5R,6E)-N-(2,3-Dihydro-1H-inden-2-yl)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenamide

  • Molecular FormulaC21H31NO5
  • Average mass377.474 Da
  • Monoisotopic mass377.220215 Da
  • ChemSpider ID26329396

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R,4S,5R,6E)-N-(2,3-Dihydro-1H-inden-2-yl)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenamid [German] [ACD/IUPAC Name]
(2R,3R,4S,5R,6E)-N-(2,3-Dihydro-1H-inden-2-yl)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenamide [ACD/IUPAC Name]
(2R,3R,4S,5R,6E)-N-(2,3-Dihydro-1H-indén-2-yl)-3,4,5-trihydroxy-2-méthoxy-8,8-diméthyl-6-nonénamide [French] [ACD/IUPAC Name]
(E,2r,3r,4s,5r)-N-(2,3-Dihydro-1h-Inden-2-Yl)-2-Methoxy-8,8-Dimethyl-3,4,5-Tris(Oxidanyl)non-6-Enamide
(2r,3r,4s,5r,6e)-N-(2,3-Dihydro-1h-Inden-2-Yl)-3,4,5-Trihydroxy-2-Methoxy-8,8-Dimethylnon-6-Enamide (Non-Preferred Name)
Y10

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 339.2±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 104.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.67
ACD/KOC (pH 5.5): 883.44
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.67
ACD/KOC (pH 7.4): 883.44
Polar Surface Area: 99 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 315.8±5.0 cm3

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