ChemSpider 2D Image | (3S,5R,8R,9S,10S,13R,14S,17S)-17-[(3Z)-3-{[2-(Dimethylamino)ethoxy]imino}propyl]-10,13-dimethylhexadecahydro-14H-cyclopenta[a]phenanthrene-3,14-diol | C26H46N2O3

(3S,5R,8R,9S,10S,13R,14S,17S)-17-[(3Z)-3-{[2-(Dimethylamino)ethoxy]imino}propyl]-10,13-dimethylhexadecahydro-14H-cyclopenta[a]phenanthrene-3,14-diol

  • Molecular FormulaC26H46N2O3
  • Average mass434.655 Da
  • Monoisotopic mass434.350830 Da
  • ChemSpider ID28512191
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(3S,5R,8R,9S,10S,13R,14S,17S)-17-[(3Z)-3-{[2-(Dimethylamino)ethoxy]imino}propyl]-10,13-dimethylhexadecahydro-14H-cyclopenta[a]phenanthren-3,14-diol [German] [ACD/IUPAC Name]
(3S,5R,8R,9S,10S,13R,14S,17S)-17-[(3Z)-3-{[2-(Dimethylamino)ethoxy]imino}propyl]-10,13-dimethylhexadecahydro-14H-cyclopenta[a]phenanthrene-3,14-diol [ACD/IUPAC Name]
(3S,5R,8R,9S,10S,13R,14S,17S)-17-[(3Z)-3-{[2-(Diméthylamino)éthoxy]imino}propyl]-10,13-diméthylhexadécahydro-14H-cyclopenta[a]phénanthrène-3,14-diol (non-preferred name) [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 541.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 281.2±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 123.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.50
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 10.60
ACD/KOC (pH 7.4): 59.19
Polar Surface Area: 65 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 366.0±7.0 cm3

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