ChemSpider 2D Image | Methyl (7beta,15alpha,20E)-7,15-dihydroxy-3,11,23-trioxolanosta-8,20(22)-dien-26-oate | C31H44O7

Methyl (7β,15α,20E)-7,15-dihydroxy-3,11,23-trioxolanosta-8,20(22)-dien-26-oate

  • Molecular FormulaC31H44O7
  • Average mass528.677 Da
  • Monoisotopic mass528.308716 Da
  • ChemSpider ID28482759

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(7β,15α,20E)-7,15-Dihydroxy-3,11,23-trioxolanosta-8,20(22)-dién-26-oate de méthyle [French] [ACD/IUPAC Name]
Lanosta-8,20(22)-dien-26-oic acid, 7,15-dihydroxy-3,11,23-trioxo-, methyl ester, (7β,15α,20E)- [ACD/Index Name]
Methyl (7β,15α,20E)-7,15-dihydroxy-3,11,23-trioxolanosta-8,20(22)-dien-26-oate [ACD/IUPAC Name]
Methyl-(7β,15α,20E)-7,15-dihydroxy-3,11,23-trioxolanosta-8,20(22)-dien-26-oat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 673.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±6.0 kJ/mol
Flash Point: 212.6±25.0 °C
Index of Refraction: 1.559
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 235.74
ACD/KOC (pH 5.5): 1736.95
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 235.74
ACD/KOC (pH 7.4): 1736.95
Polar Surface Area: 118 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 438.9±5.0 cm3

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