Found 44 results

Search term: C36H54O12 (Found by molecular formula)
ChemSpider 2D Image | 16,20,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5-dien-2-yl hexopyranoside | C36H54O12

16,20,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5-dien-2-yl hexopyranoside

  • Molecular FormulaC36H54O12
  • Average mass678.807 Da
  • Monoisotopic mass678.361511 Da
  • ChemSpider ID3052797

More details:

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

16,20,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5-dien-2-yl hexopyranoside [ACD/IUPAC Name]
16,20,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5-dien-2-ylhexopyranosid [German] [ACD/IUPAC Name]
Estra-1,5-diene-3,11-dione, 17-(1,5-dihydroxy-1,5-dimethyl-2-oxohexyl)-2-(hexopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl- [ACD/Index Name]
Hexopyranoside de 16,20,25-trihydroxy-9,10,14-triméthyl-1,11,22-trioxo-4,9-cyclo-9,10-sécocholesta-2,5-dién-2-yle [French] [ACD/IUPAC 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: 866.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.0±6.0 kJ/mol
Flash Point: 266.1±27.8 °C
Index of Refraction: 1.607
Molar Refractivity: 172.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.36
ACD/KOC (pH 5.5): 115.83
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.36
ACD/KOC (pH 7.4): 115.83
Polar Surface Area: 211 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 498.8±5.0 cm3

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