ChemSpider 2D Image | (5R,6Z,8Z,10Z,13S,14S,15R,16Z)-13,15,22,24-Tetrahydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-3-one | C26H35NO6

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

  • Molecular FormulaC26H35NO6
  • Average mass457.559 Da
  • Monoisotopic mass457.246429 Da
  • ChemSpider ID21244309

  • 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,13S,14S,15R,16Z)-13,15,22,24-Tetrahydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-3-on [German] [ACD/IUPAC Name]
(5R,6Z,8Z,10Z,13S,14S,15R,16Z)-13,15,22,24-Tetrahydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-3-one [ACD/IUPAC Name]
(5R,6Z,8Z,10Z,13S,14S,15R,16Z)-13,15,22,24-Tétrahydroxy-5-méthoxy-14,16-diméthyl-2-azabicyclo[18.3.1]tétracosa-1(24),6,8,10,16,20,22-heptaén-3-one [French] [ACD/IUPAC Name]
2-Azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-3-one, 13,15,22,24-tetrahydroxy-5-methoxy-14,16-dimethyl-, (5R,6Z,8Z,10Z,13S,14S,15R,16Z)- [ACD/Index 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: 696.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 374.8±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 128.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 166.04
ACD/KOC (pH 5.5): 1351.51
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 165.68
ACD/KOC (pH 7.4): 1348.61
Polar Surface Area: 119 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 371.6±5.0 cm3

Click to predict properties on the Chemicalize site


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