ChemSpider 2D Image | 14-Hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-[(E)-(2,3,4,5-tetrahydroxyhexylidene)amino]propanoate | C32H49NO9

14-Hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-[(E)-(2,3,4,5-tetrahydroxyhexylidene)amino]propanoate

  • Molecular FormulaC32H49NO9
  • Average mass591.733 Da
  • Monoisotopic mass591.340759 Da
  • ChemSpider ID2327425

  • Double-bond stereo - Double-bond stereo

More details:

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

14-Hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-[(E)-(2,3,4,5-tetrahydroxyhexylidene)amino]propanoate [ACD/IUPAC Name]
14-Hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl-2-[(E)-(2,3,4,5-tetrahydroxyhexyliden)amino]propanoat [German] [ACD/IUPAC Name]
2-[(E)-(2,3,4,5-Tétrahydroxyhexylidène)amino]propanoate de 14-hydroxy-10,13-diméthyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadécahydro-1H-cyclopenta[a]phénanthrén-3-yle [French] [ACD/IUPAC Name]
81072-30-2 [RN]
81176-34-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 802.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.9±6.0 kJ/mol
Flash Point: 439.1±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 149.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.65
ACD/KOC (pH 5.5): 560.62
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 48.85
ACD/KOC (pH 7.4): 563.02
Polar Surface Area: 166 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 415.5±7.0 cm3

Click to predict properties on the Chemicalize site


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