ChemSpider 2D Image | (3beta,15beta)-3-(Methoxymethoxy)-15-[(4-methoxytetrahydro-2H-pyran-4-yl)oxy]cholesta-5,16-dien-23-ol | C35H58O6

(3β,15β)-3-(Methoxymethoxy)-15-[(4-methoxytetrahydro-2H-pyran-4-yl)oxy]cholesta-5,16-dien-23-ol

  • Molecular FormulaC35H58O6
  • Average mass574.831 Da
  • Monoisotopic mass574.423340 Da
  • ChemSpider ID8706604

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β,15β)-3-(Methoxymethoxy)-15-[(4-methoxytetrahydro-2H-pyran-4-yl)oxy]cholesta-5,16-dien-23-ol [ACD/IUPAC Name]
(3β,15β)-3-(Methoxymethoxy)-15-[(4-methoxytetrahydro-2H-pyran-4-yl)oxy]cholesta-5,16-dien-23-ol [German] [ACD/IUPAC Name]
(3β,15β)-3-(Méthoxyméthoxy)-15-[(4-méthoxytétrahydro-2H-pyran-4-yl)oxy]cholesta-5,16-dién-23-ol [French] [ACD/IUPAC Name]
Cholesta-5,16-dien-23-ol, 3-(methoxymethoxy)-15-[(tetrahydro-4-methoxy-2H-pyran-4-yl)oxy]-, (3β,15β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 632.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.1±6.0 kJ/mol
Flash Point: 336.2±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 163.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 6.65
ACD/BCF (pH 5.5): 66514.75
ACD/KOC (pH 5.5): 98588.31
ACD/LogD (pH 7.4): 6.65
ACD/BCF (pH 7.4): 66514.75
ACD/KOC (pH 7.4): 98588.31
Polar Surface Area: 66 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 525.4±5.0 cm3

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