ChemSpider 2D Image | Fumaropimaric acid | C24H34O6

Fumaropimaric acid

  • Molecular FormulaC24H34O6
  • Average mass418.523 Da
  • Monoisotopic mass418.235535 Da
  • ChemSpider ID58828530

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,4R,5R,9R,10R,12R,13R,14S)-16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.01,10.04,9]hexadec-15-en-5,13,14-tricarbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(1S,4R,5R,9R,10R,12R,13R,14S)-16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5,13,14-tricarboxylic acid (non-preferred name) [ACD/IUPAC Name]
125-66-6 [RN]
204-748-0 [EINECS]
Acide (1S,4R,5R,9R,10R,12R,13R,14S)-16-isopropyl-5,9-diméthyltétracyclo[10.2.2.01,10.04,9]hexadéc-15-ène-5,13,14-tricarboxylique (non-preferred name) [French] [ACD/IUPAC Name]
Fumaropimaric acid

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

057F0F79CY [DBID]
UNII:057F0F79CY [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 617.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 341.2±28.0 °C
Index of Refraction: 1.583
Molar Refractivity: 109.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 8.08
ACD/KOC (pH 5.5): 27.18
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 327.9±5.0 cm3

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