ChemSpider 2D Image | (1R,3S,7R,10R,11S,12S,16S)-10-(3-Butyn-1-yl)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-[(1E)-1-(2-pyridinyl)-1-propen-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione | C31H43NO6

(1R,3S,7R,10R,11S,12S,16S)-10-(3-Butyn-1-yl)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-[(1E)-1-(2-pyridinyl)-1-propen-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

  • Molecular FormulaC31H43NO6
  • Average mass525.676 Da
  • Monoisotopic mass525.309021 Da
  • ChemSpider ID7982633

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,3S,7R,10R,11S,12S,16S)-10-(3-Butin-1-yl)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-[(1E)-1-(2-pyridinyl)-1-propen-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecan-5,9-dion [German] [ACD/IUPAC Name]
(1R,3S,7R,10R,11S,12S,16S)-10-(3-Butyn-1-yl)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-[(1E)-1-(2-pyridinyl)-1-propen-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione [ACD/IUPAC Name]
(1R,3S,7R,10R,11S,12S,16S)-10-(3-Butyn-1-yl)-7,11-dihydroxy-8,8,12,16-tétraméthyl-3-[(1E)-1-(2-pyridinyl)-1-propén-2-yl]-4,17-dioxabicyclo[14.1.0]heptadécane-5,9-dione [French] [ACD/IUPAC Name]
4,17-Dioxabicyclo[14.1.0]heptadecane-5,9-dione, 10-(3-butyn-1-yl)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-[(E)-1-methyl-2-(2-pyridinyl)ethenyl]-, (1R,3S,7R,10R,11S,12S,16S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 697.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 375.9±31.5 °C
Index of Refraction: 1.530
Molar Refractivity: 146.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 189.04
ACD/KOC (pH 5.5): 1427.30
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.95
ACD/KOC (pH 7.4): 1630.47
Polar Surface Area: 109 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 475.2±3.0 cm3

Click to predict properties on the Chemicalize site


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