ChemSpider 2D Image | (7beta,20E)-2,7,27-Trihydroxy-3,11,15,23-tetraoxolanosta-8,20(22)-dien-26-oic acid | C30H40O9

(7β,20E)-2,7,27-Trihydroxy-3,11,15,23-tetraoxolanosta-8,20(22)-dien-26-oic acid

  • Molecular FormulaC30H40O9
  • Average mass544.633 Da
  • Monoisotopic mass544.267212 Da
  • ChemSpider ID58993971

  • 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

(7β,20E)-2,7,27-Trihydroxy-3,11,15,23-tetraoxolanosta-8,20(22)-dien-26-oic acid [ACD/IUPAC Name]
(7β,20E)-2,7,27-Trihydroxy-3,11,15,23-tetraoxolanosta-8,20(22)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (7β,20E)-2,7,27-trihydroxy-3,11,15,23-tétraoxolanosta-8,20(22)-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,20(22)-dien-26-oic acid, 2,7,27-trihydroxy-3,11,15,23-tetraoxo-, (7β,20E)- [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: 778.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.1±6.0 kJ/mol
Flash Point: 438.3±29.4 °C
Index of Refraction: 1.594
Molar Refractivity: 138.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.21
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.43
ACD/LogD (pH 7.4): -2.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 408.1±5.0 cm3

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