ChemSpider 2D Image | thiaplidiaquinone A | C34H41NO6S

thiaplidiaquinone A

  • Molecular FormulaC34H41NO6S
  • Average mass591.757 Da
  • Monoisotopic mass591.265442 Da
  • ChemSpider ID9367695

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

[1]Benzopyrano[4,3-g][1,4]benzothiazine-7,12(6H,9H)-dione, 6-[(1E)-2,6-dimethyl-1,5-heptadien-1-yl]-3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-10,11-dihydro-2-hydroxy-, 8,8-dioxide [ACD/Index Name]
6-[(1E)-2,6-Dimethyl-1,5-heptadien-1-yl]-3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2-hydroxy-10,11-dihydrobenzo[3,4]isochromeno[7,6-b][1,4]thiazin-7,12(6H,9H)-dion-8,8-dioxid [German] [ACD/IUPAC Name]
6-[(1E)-2,6-Dimethyl-1,5-heptadien-1-yl]-3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2-hydroxy-10,11-dihydrobenzo[3,4]isochromeno[7,6-b][1,4]thiazine-7,12(6H,9H)-dione 8,8-dioxide [ACD/IUPAC Name]
8,8-Dioxyde de 6-[(1E)-2,6-diméthyl-1,5-heptadién-1-yl]-3-[(2E)-3,7-diméthyl-2,6-octadién-1-yl]-2-hydroxy-10,11-dihydrobenzo[3,4]isochroméno[7,6-b][1,4]thiazine-7,12(6H,9H)-dione [French] [ACD/IUPAC Name]
thiaplidiaquinone A
thiaplidiaquinone B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 793.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 433.8±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 163.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.32
ACD/LogD (pH 5.5): 7.55
ACD/BCF (pH 5.5): 324040.75
ACD/KOC (pH 5.5): 306227.31
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 320616.06
ACD/KOC (pH 7.4): 302990.91
Polar Surface Area: 118 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 470.2±5.0 cm3

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