ChemSpider 2D Image | (2S,3S,4R,5S,6E)-3,4,5-Trihydroxy-N-[(3R,6S)-6-hydroxy-2-oxo-3-azepanyl]-2-methoxy-8,8-dimethyl-6-nonenamide | C18H32N2O7

(2S,3S,4R,5S,6E)-3,4,5-Trihydroxy-N-[(3R,6S)-6-hydroxy-2-oxo-3-azepanyl]-2-methoxy-8,8-dimethyl-6-nonenamide

  • Molecular FormulaC18H32N2O7
  • Average mass388.456 Da
  • Monoisotopic mass388.220947 Da
  • ChemSpider ID62571479

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,3S,4R,5S,6E)-3,4,5-Trihydroxy-N-[(3R,6S)-6-hydroxy-2-oxo-3-azepanyl]-2-methoxy-8,8-dimethyl-6-nonenamid [German] [ACD/IUPAC Name]
(2S,3S,4R,5S,6E)-3,4,5-Trihydroxy-N-[(3R,6S)-6-hydroxy-2-oxo-3-azepanyl]-2-methoxy-8,8-dimethyl-6-nonenamide [ACD/IUPAC Name]
(2S,3S,4R,5S,6E)-3,4,5-Trihydroxy-N-[(3R,6S)-6-hydroxy-2-oxo-3-azépanyl]-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: 1.3±0.1 g/cm3
Boiling Point: 731.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 395.9±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 98.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.20
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.20
Polar Surface Area: 148 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 308.2±5.0 cm3

Click to predict properties on the Chemicalize site


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