ChemSpider 2D Image | SCUTEFLORIN A | C19H18O6

SCUTEFLORIN A

  • Molecular FormulaC19H18O6
  • Average mass342.343 Da
  • Monoisotopic mass342.110352 Da
  • ChemSpider ID24633354

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

1151786-06-9 [RN]
2-Butenoic acid, 3-methyl-, 7,8-dihydro-8,8-dimethyl-2,6-dioxo-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl ester [ACD/Index Name]
3-Méthyl-2-buténoate de 8,8-diméthyl-2,6-dioxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromén-7-yle [French] [ACD/IUPAC Name]
8,8-Dimethyl-2,6-dioxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-7-yl 3-methyl-2-butenoate [ACD/IUPAC Name]
8,8-Dimethyl-2,6-dioxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-7-yl-3-methyl-2-butenoat [German] [ACD/IUPAC Name]
SCUTEFLORIN A
(+)-scuteflorin A

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

6W95D4Z196 [DBID]
UNII:6W95D4Z196 [DBID]
UNII-6W95D4Z196 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 516.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 228.4±30.2 °C
Index of Refraction: 1.590
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 276.38
ACD/KOC (pH 5.5): 1946.44
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 276.38
ACD/KOC (pH 7.4): 1946.44
Polar Surface Area: 79 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 260.8±5.0 cm3

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