Found 1 result

Search term: 71120863 (Found by CSID)
ChemSpider 2D Image | fusarisolin A | C21H34O5

fusarisolin A

  • Molecular FormulaC21H34O5
  • Average mass366.492 Da
  • Monoisotopic mass366.240631 Da
  • ChemSpider ID71120863

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E,4E,7R,13R)-13-[(2R,3R)-3-(Hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethyl-2,4-tetradecadienoic acid [ACD/IUPAC Name]
(2E,4E,7R,13R)-13-[(2R,3R)-3-(Hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethyl-2,4-tetradecadiensäure [German] [ACD/IUPAC Name]
2,4-Tetradecadienoic acid, 13-[(2R,3R)-3-(hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethyl-, (2E,4E,7R,13R)- [ACD/Index Name]
Acide (2E,4E,7R,13R)-13-[(2R,3R)-3-(hydroxyméthyl)-4-oxo-2-oxétanyl]-3,5,7-triméthyl-2,4-tétradécadiénoïque [French] [ACD/IUPAC Name]
fusarisolin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 541.3±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 182.3±13.9 °C
Index of Refraction: 1.507
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 192.38
ACD/KOC (pH 5.5): 990.63
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 3.28
ACD/KOC (pH 7.4): 16.91
Polar Surface Area: 84 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 342.1±3.0 cm3

Click to predict properties on the Chemicalize site


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