ChemSpider 2D Image | Heraclenol; IN-247; IN00247 | C16H16O6

Heraclenol; IN-247; IN00247

  • Molecular FormulaC16H16O6
  • Average mass304.295 Da
  • Monoisotopic mass304.094696 Da
  • ChemSpider ID30772430

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(2S)-2,3-dihydroxy-3-methylbutoxy]- [ACD/Index Name]
9-[(2S)-2,3-Dihydroxy-3-methylbutoxy]-7H-furo[3,2-g]chromen-7-on [German] [ACD/IUPAC Name]
9-[(2S)-2,3-Dihydroxy-3-methylbutoxy]-7H-furo[3,2-g]chromen-7-one [ACD/IUPAC Name]
9-[(2S)-2,3-Dihydroxy-3-méthylbutoxy]-7H-furo[3,2-g]chromén-7-one [French] [ACD/IUPAC Name]
Heraclenol; IN-247; IN00247
(-)-Heraclenol
139079-42-8 [RN]
9-[(2S)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
heraclenol
IN00247
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.4±0.1 g/cm3
Boiling Point: 544.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 283.0±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 78.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.86
ACD/KOC (pH 5.5): 179.15
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.86
ACD/KOC (pH 7.4): 179.15
Polar Surface Area: 89 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 219.5±3.0 cm3

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