ChemSpider 2D Image | (7S)-7-(3,4-Dihydroxyphenyl)-4-hydroxy-2-(2-hydroxy-2-propanyl)-9-(3-methyl-2-buten-1-yl)-2,3,6,7-tetrahydro-5H-furo[3,2-g]chromen-5-one | C25H28O7

(7S)-7-(3,4-Dihydroxyphenyl)-4-hydroxy-2-(2-hydroxy-2-propanyl)-9-(3-methyl-2-buten-1-yl)-2,3,6,7-tetrahydro-5H-furo[3,2-g]chromen-5-one

  • Molecular FormulaC25H28O7
  • Average mass440.486 Da
  • Monoisotopic mass440.183502 Da
  • ChemSpider ID24846463

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(7S)-7-(3,4-Dihydroxyphenyl)-4-hydroxy-2-(2-hydroxy-2-propanyl)-9-(3-methyl-2-buten-1-yl)-2,3,6,7-tetrahydro-5H-furo[3,2-g]chromen-5-on [German] [ACD/IUPAC Name]
(7S)-7-(3,4-Dihydroxyphenyl)-4-hydroxy-2-(2-hydroxy-2-propanyl)-9-(3-methyl-2-buten-1-yl)-2,3,6,7-tetrahydro-5H-furo[3,2-g]chromen-5-one [ACD/IUPAC Name]
(7S)-7-(3,4-Dihydroxyphényl)-4-hydroxy-2-(2-hydroxy-2-propanyl)-9-(3-méthyl-2-butén-1-yl)-2,3,6,7-tétrahydro-5H-furo[3,2-g]chromén-5-one [French] [ACD/IUPAC Name]
5H-Furo[3,2-g][1]benzopyran-5-one, 7-(3,4-dihydroxyphenyl)-2,3,6,7-tetrahydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-9-(3-methyl-2-buten-1-yl)-, (7S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 245.1±26.4 °C
Index of Refraction: 1.642
Molar Refractivity: 117.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1337.08
ACD/KOC (pH 5.5): 6006.99
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 944.79
ACD/KOC (pH 7.4): 4244.57
Polar Surface Area: 116 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 326.4±3.0 cm3

Click to predict properties on the Chemicalize site


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