ChemSpider 2D Image | (2R,3R,4S,5R,6E)-N-{[(3S)-1-(Cyclopropylcarbonyl)-3-piperidinyl]methyl}-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenamide | C22H38N2O6

(2R,3R,4S,5R,6E)-N-{[(3S)-1-(Cyclopropylcarbonyl)-3-piperidinyl]methyl}-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenamide

  • Molecular FormulaC22H38N2O6
  • Average mass426.547 Da
  • Monoisotopic mass426.272980 Da
  • ChemSpider ID26329395

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3R,4S,5R,6E)-N-{[(3S)-1-(Cyclopropylcarbonyl)-3-piperidinyl]methyl}-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenamid [German] [ACD/IUPAC Name]
(2R,3R,4S,5R,6E)-N-{[(3S)-1-(Cyclopropylcarbonyl)-3-piperidinyl]methyl}-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenamide [ACD/IUPAC Name]
(2R,3R,4S,5R,6E)-N-{[(3S)-1-(Cyclopropylcarbonyl)-3-pipéridinyl]méthyl}-3,4,5-trihydroxy-2-méthoxy-8,8-diméthyl-6-nonénamide [French] [ACD/IUPAC Name]
(E,2r,3r,4s,5r)-N-[[(3s)-1-Cyclopropylcarbonylpiperidin-3-Yl]methyl]-2-Methoxy-8,8-Dimethyl-3,4,5-Tris(Oxidanyl)non-6-Enamide
(2r,3r,4s,5r,6e)-N-{[(3s)-1-(Cyclopropylcarbonyl)piperidin-3-Yl]methyl}-3,4,5-Trihydroxy-2-Methoxy-8,8-Dimethylnon-6-Enamide (Non-Preferred Name)
Y08

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

Density: 1.2±0.1 g/cm3
Boiling Point: 690.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.7±6.0 kJ/mol
Flash Point: 371.2±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 113.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.48
ACD/KOC (pH 5.5): 84.94
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.48
ACD/KOC (pH 7.4): 84.94
Polar Surface Area: 119 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 357.2±3.0 cm3

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