ChemSpider 2D Image | 1-{[(3beta)-3-Hydroxychol-5-en-22-yl]oxy}-3H-phenoxazin-2(10H)-one | C36H47NO4

1-{[(3β)-3-Hydroxychol-5-en-22-yl]oxy}-3H-phenoxazin-2(10H)-one

  • Molecular FormulaC36H47NO4
  • Average mass557.763 Da
  • Monoisotopic mass557.350525 Da
  • ChemSpider ID116494

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

1-{[(3β)-3-Hydroxychol-5-en-22-yl]oxy}-3H-phenoxazin-2(10H)-on [German] [ACD/IUPAC Name]
1-{[(3β)-3-Hydroxychol-5-en-22-yl]oxy}-3H-phenoxazin-2(10H)-one [ACD/IUPAC Name]
1-{[(3β)-3-Hydroxychol-5-én-22-yl]oxy}-3H-phénoxazin-2(10H)-one [French] [ACD/IUPAC Name]
3H-Phenoxazin-2(10H)-one, 1-[[(3β)-3-hydroxychol-5-en-22-yl]oxy]- [ACD/Index Name]
135212-24-7 [RN]
22-PHENOXAZONOXY-5-CHOLENE-3 SS-OL
22-phenoxazonoxy-5-cholene-3 β-ol
22-Phenoxazonoxy-5-cholene-3β-ol
Opochol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 669.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 358.7±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 7.33
ACD/BCF (pH 5.5): 218719.80
ACD/KOC (pH 5.5): 231134.31
ACD/LogD (pH 7.4): 7.33
ACD/BCF (pH 7.4): 218725.08
ACD/KOC (pH 7.4): 231139.89
Polar Surface Area: 68 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 462.4±5.0 cm3

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