ChemSpider 2D Image | (5xi,7beta,15alpha,20E)-7,15-Dihydroxy-3,11,23-trioxolanosta-8,20(22)-dien-26-oic acid | C30H42O7

(5ξ,7β,15α,20E)-7,15-Dihydroxy-3,11,23-trioxolanosta-8,20(22)-dien-26-oic acid

  • Molecular FormulaC30H42O7
  • Average mass514.650 Da
  • Monoisotopic mass514.293030 Da
  • ChemSpider ID4946189
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres


More details:






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

(5ξ,7β,15α,20E)-7,15-Dihydroxy-3,11,23-trioxolanosta-8,20(22)-dien-26-oic acid [ACD/IUPAC Name]
(5ξ,7β,15α,20E)-7,15-Dihydroxy-3,11,23-trioxolanosta-8,20(22)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (5ξ,7β,15α,20E)-7,15-dihydroxy-3,11,23-trioxolanosta-8,20(22)-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,20(22)-dien-26-oic acid, 7,15-dihydroxy-3,11,23-trioxo-, (5ξ,7β,15α,20E)- [ACD/Index Name]
100665-40-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 700.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.2±6.0 kJ/mol
Flash Point: 391.3±29.4 °C
Index of Refraction: 1.575
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 10.87
ACD/KOC (pH 5.5): 103.27
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.62
Polar Surface Area: 129 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 414.1±5.0 cm3

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