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Search term: 59006996 (Found by CSID)
ChemSpider 2D Image | 7-[(3R)-6,8-Dihydroxy-5-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl]heptanoic acid | C17H22O6

7-[(3R)-6,8-Dihydroxy-5-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl]heptanoic acid

  • Molecular FormulaC17H22O6
  • Average mass322.353 Da
  • Monoisotopic mass322.141632 Da
  • ChemSpider ID59006996

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-2-Benzopyran-3-heptanoic acid, 3,4-dihydro-6,8-dihydroxy-5-methyl-1-oxo-, (3R)- [ACD/Index Name]
7-[(3R)-6,8-Dihydroxy-5-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl]heptanoic acid [ACD/IUPAC Name]
7-[(3R)-6,8-Dihydroxy-5-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl]heptansäure [German] [ACD/IUPAC Name]
Acide 7-[(3R)-6,8-dihydroxy-5-méthyl-1-oxo-3,4-dihydro-1H-isochromén-3-yl]heptanoïque [French] [ACD/IUPAC Name]
Soudanone 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: 616.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 226.7±25.0 °C
Index of Refraction: 1.572
Molar Refractivity: 82.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 64.59
ACD/KOC (pH 5.5): 406.31
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.98
Polar Surface Area: 104 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 251.7±3.0 cm3

Click to predict properties on the Chemicalize site


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