ChemSpider 2D Image | (5xi,7beta,12beta,20Z,25R)-7,12-Dihydroxy-3,11,15,23-tetraoxolanosta-8,20(22)-dien-26-oic acid | C30H40O8

(5ξ,7β,12β,20Z,25R)-7,12-Dihydroxy-3,11,15,23-tetraoxolanosta-8,20(22)-dien-26-oic acid

  • Molecular FormulaC30H40O8
  • Average mass528.634 Da
  • Monoisotopic mass528.272339 Da
  • ChemSpider ID71041978

  • 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

(5ξ,7β,12β,20Z,25R)-7,12-Dihydroxy-3,11,15,23-tetraoxolanosta-8,20(22)-dien-26-oic acid [ACD/IUPAC Name]
(5ξ,7β,12β,20Z,25R)-7,12-Dihydroxy-3,11,15,23-tetraoxolanosta-8,20(22)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (5ξ,7β,12β,20Z,25R)-7,12-dihydroxy-3,11,15,23-tétraoxolanosta-8,20(22)-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,20(22)-dien-26-oic acid, 7,12-dihydroxy-3,11,15,23-tetraoxo-, (5ξ,7β,12β,20Z,25R)- [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: 737.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 413.5±29.4 °C
Index of Refraction: 1.582
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 2.57
ACD/KOC (pH 5.5): 36.06
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 410.9±5.0 cm3

Click to predict properties on the Chemicalize site


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