ChemSpider 2D Image | (8R)-2-(3,4-Dihydroxyphenyl)-5-hydroxy-8-(2-hydroxy-2-propanyl)-6-(3-methyl-2-buten-1-yl)-2,3,8,9-tetrahydro-4H-furo[2,3-h]chromen-4-one | C25H28O7

(8R)-2-(3,4-Dihydroxyphenyl)-5-hydroxy-8-(2-hydroxy-2-propanyl)-6-(3-methyl-2-buten-1-yl)-2,3,8,9-tetrahydro-4H-furo[2,3-h]chromen-4-one

  • Molecular FormulaC25H28O7
  • Average mass440.486 Da
  • Monoisotopic mass440.183502 Da
  • ChemSpider ID30847791
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(8R)-2-(3,4-Dihydroxyphenyl)-5-hydroxy-8-(2-hydroxy-2-propanyl)-6-(3-methyl-2-buten-1-yl)-2,3,8,9-tetrahydro-4H-furo[2,3-h]chromen-4-on [German] [ACD/IUPAC Name]
(8R)-2-(3,4-Dihydroxyphenyl)-5-hydroxy-8-(2-hydroxy-2-propanyl)-6-(3-methyl-2-buten-1-yl)-2,3,8,9-tetrahydro-4H-furo[2,3-h]chromen-4-one [ACD/IUPAC Name]
(8R)-2-(3,4-Dihydroxyphényl)-5-hydroxy-8-(2-hydroxy-2-propanyl)-6-(3-méthyl-2-butén-1-yl)-2,3,8,9-tétrahydro-4H-furo[2,3-h]chromén-4-one [French] [ACD/IUPAC Name]
4H-Furo[2,3-h]-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3,8,9-tetrahydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(3-methyl-2-buten-1-yl)-, (8R)- [ACD/Index Name]
2-(3,4-dihydroxyphenyl)-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(3-methyl-2-butenyl)-2,3,8,9-tetrahydro-4H-furo[2,3-h]chromen-4-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 707.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 243.1±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): 4.23
ACD/BCF (pH 5.5): 968.83
ACD/KOC (pH 5.5): 4774.19
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 831.30
ACD/KOC (pH 7.4): 4096.46
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

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