ChemSpider 2D Image | (24E)-1,7,20,26-Tetrahydroxy-9,10,14-trimethyl-11-oxo-16,23-epoxy-4,9-cyclo-9,10-secocholesta-5,24-dien-2-yl hexopyranoside | C36H56O12

(24E)-1,7,20,26-Tetrahydroxy-9,10,14-trimethyl-11-oxo-16,23-epoxy-4,9-cyclo-9,10-secocholesta-5,24-dien-2-yl hexopyranoside

  • Molecular FormulaC36H56O12
  • Average mass680.823 Da
  • Monoisotopic mass680.377197 Da
  • ChemSpider ID24618441

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(24E)-1,7,20,26-Tetrahydroxy-9,10,14-trimethyl-11-oxo-16,23-epoxy-4,9-cyclo-9,10-secocholesta-5,24-dien-2-yl hexopyranoside [ACD/IUPAC Name]
(24E)-1,7,20,26-Tetrahydroxy-9,10,14-trimethyl-11-oxo-16,23-epoxy-4,9-cyclo-9,10-secocholesta-5,24-dien-2-ylhexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside de (24E)-1,7,20,26-tétrahydroxy-9,10,14-triméthyl-11-oxo-16,23-époxy-4,9-cyclo-9,10-sécocholesta-5,24-dién-2-yle [French] [ACD/IUPAC Name]
Naphth[2',1':4,5]indeno[2,1-b]pyran-5(2H)-one, 3-(hexopyranosyloxy)-1,3,4,4a,4b,6,6a,6b,7,8,9,10a,11,11a,11b,12-hexadecahydro-2,7,12-trihydroxy-9-[(1E)-3-hydroxy-2-methyl-1-propen-1-yl]-1,1,4b,6a,7,11 a-hexamethyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 852.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.9±6.0 kJ/mol
Flash Point: 261.8±27.8 °C
Index of Refraction: 1.622
Molar Refractivity: 173.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.84
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.05
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.05
Polar Surface Area: 207 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 491.7±5.0 cm3

Click to predict properties on the Chemicalize site


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