ChemSpider 2D Image | Quadrangularic acid H | C30H44O7

Quadrangularic acid H

  • Molecular FormulaC30H44O7
  • Average mass516.666 Da
  • Monoisotopic mass516.308716 Da
  • ChemSpider ID8943508

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1α,3β,9β)-1,3-Dihydroxy-24-oxo-9,19-cyclolanost-25-en-21,28-disäure [German] [ACD/IUPAC Name]
(1α,3β,9β)-1,3-Dihydroxy-24-oxo-9,19-cyclolanost-25-ene-21,28-dioic acid [ACD/IUPAC Name]
9,19-Cyclolanost-25-ene-21,28-dioic acid, 1,3-dihydroxy-24-oxo-, (1α,3β,9β)- [ACD/Index Name]
Acide (1α,3β,9β)-1,3-dihydroxy-24-oxo-9,19-cyclolanost-25-ène-21,28-dioïque [French] [ACD/IUPAC Name]
Quadrangularic acid H
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL515770/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.1±6.0 kJ/mol
Flash Point: 398.9±29.4 °C
Index of Refraction: 1.589
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 9.18
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 405.7±5.0 cm3

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