ChemSpider 2D Image | (5R,6Z,8Z,10Z,13R,14S,15S,16Z)-13,15-Dihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaene-3,22,24-trione | C26H33NO6

(5R,6Z,8Z,10Z,13R,14S,15S,16Z)-13,15-Dihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaene-3,22,24-trione

  • Molecular FormulaC26H33NO6
  • Average mass455.543 Da
  • Monoisotopic mass455.230774 Da
  • ChemSpider ID57490398

  • 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

(5R,6Z,8Z,10Z,13R,14S,15S,16Z)-13,15-Dihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-3,22,24-trion [German] [ACD/IUPAC Name]
(5R,6Z,8Z,10Z,13R,14S,15S,16Z)-13,15-Dihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaene-3,22,24-trione [ACD/IUPAC Name]
(5R,6Z,8Z,10Z,13R,14S,15S,16Z)-13,15-Dihydroxy-5-méthoxy-14,16-diméthyl-2-azabicyclo[18.3.1]tétracosa-1(23),6,8,10,16,20-hexaène-3,22,24-trione [French] [ACD/IUPAC Name]
2-Azabicyclo[18.3.1]tetracosa-6,8,10,16,20,23-hexaene-3,22,24-trione, 13,15-dihydroxy-5-methoxy-14,16-dimethyl-, (5R,6Z,8Z,10Z,13R,14S,15S,16Z)- [ACD/Index Name]
(5R,6E,8E,10E,13R,14S,15S,16E)-13,15-Dihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaene-3,22,24-trione [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: 710.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.7±6.0 kJ/mol
Flash Point: 383.2±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.90
ACD/KOC (pH 5.5): 579.79
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.82
ACD/KOC (pH 7.4): 578.94
Polar Surface Area: 113 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 377.8±5.0 cm3

Click to predict properties on the Chemicalize site


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