ChemSpider 2D Image | 14-Hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl [(E)-(2,3,4,5,6-pentahydroxyhexylidene)amino]acetate | C31H47NO10

14-Hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl [(E)-(2,3,4,5,6-pentahydroxyhexylidene)amino]acetate

  • Molecular FormulaC31H47NO10
  • Average mass593.706 Da
  • Monoisotopic mass593.320007 Da
  • ChemSpider ID2327423

  • Double-bond stereo - Double-bond stereo

More details:

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

[(E)-(2,3,4,5,6-Pentahydroxyhexylidène)amino]acétate 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]
14-Hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl [(E)-(2,3,4,5,6-pentahydroxyhexylidene)amino]acetate [ACD/IUPAC Name]
14-Hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl-[(E)-(2,3,4,5,6-pentahydroxyhexyliden)amino]acetat [German] [ACD/IUPAC Name]
81072-27-7 [RN]
81072-28-8 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 850.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.5±6.0 kJ/mol
Flash Point: 468.1±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 146.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.90
ACD/KOC (pH 5.5): 91.21
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.03
ACD/KOC (pH 7.4): 94.43
Polar Surface Area: 186 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 398.4±7.0 cm3

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