ChemSpider 2D Image | (5xi,15beta)-8,15,20-Trihydroxy-3,7,12,23-tetraoxolanosta-9(11),16-dien-26-oic acid | C30H40O9

(5ξ,15β)-8,15,20-Trihydroxy-3,7,12,23-tetraoxolanosta-9(11),16-dien-26-oic acid

  • Molecular FormulaC30H40O9
  • Average mass544.633 Da
  • Monoisotopic mass544.267212 Da
  • ChemSpider ID9214034

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(5ξ,15β)-8,15,20-Trihydroxy-3,7,12,23-tetraoxolanosta-9(11),16-dien-26-oic acid [ACD/IUPAC Name]
(5ξ,15β)-8,15,20-Trihydroxy-3,7,12,23-tetraoxolanosta-9(11),16-dien-26-säure [German] [ACD/IUPAC Name]
Acide (5ξ,15β)-8,15,20-trihydroxy-3,7,12,23-tétraoxolanosta-9(11),16-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-9(11),16-dien-26-oic acid, 8,15,20-trihydroxy-3,7,12,23-tetraoxo-, (5ξ,15β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 768.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.6±6.0 kJ/mol
Flash Point: 432.7±29.4 °C
Index of Refraction: 1.596
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 38.15
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 407.8±5.0 cm3

Click to predict properties on the Chemicalize site


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