ChemSpider 2D Image | 3-[3-(3-Furyl)-7-(2-hydroxy-2-propanyl)-3a,6,9a-trimethyl-1,9-dioxododecahydrobenzo[f]oxireno[d]isochromen-6-yl]-3-hydroxypropanoic acid | C26H34O9

3-[3-(3-Furyl)-7-(2-hydroxy-2-propanyl)-3a,6,9a-trimethyl-1,9-dioxododecahydrobenzo[f]oxireno[d]isochromen-6-yl]-3-hydroxypropanoic acid

  • Molecular FormulaC26H34O9
  • Average mass490.543 Da
  • Monoisotopic mass490.220276 Da
  • ChemSpider ID35013837

More details:

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

3-[3-(3-Furyl)-7-(2-hydroxy-2-propanyl)-3a,6,9a-trimethyl-1,9-dioxododecahydrobenzo[f]oxireno[d]isochromen-6-yl]-3-hydroxypropanoic acid [ACD/IUPAC Name]
3-[3-(3-Furyl)-7-(2-hydroxy-2-propanyl)-3a,6,9a-trimethyl-1,9-dioxododecahydrobenzo[f]oxireno[d]isochromen-6-yl]-3-hydroxypropansäure [German] [ACD/IUPAC Name]
Acide 3-[3-(3-furyl)-7-(2-hydroxy-2-propanyl)-3a,6,9a-triméthyl-1,9-dioxododécahydrobenzo[f]oxiréno[d]isochromén-6-yl]-3-hydroxypropanoïque [French] [ACD/IUPAC Name]
Naphth[2,1-c]oxireno[d]pyran-6-propanoic acid, 3-(3-furanyl)dodecahydro-β-hydroxy-7-(1-hydroxy-1-methylethyl)-3a,6,9a-trimethyl-1,9-dioxo- [ACD/Index Name]
3-[11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.0�,�4.0�,7]pentadecan-6-yl]-3-hydroxypropanoic acid
Deacetylnomilinic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 688.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 370.2±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.70
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 355.7±5.0 cm3

Click to predict properties on the Chemicalize site


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