ChemSpider 2D Image | (3R)-5,6-Dihydroxy-3-(4-hydroxy-3-methoxybenzyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one | C18H18O7

(3R)-5,6-Dihydroxy-3-(4-hydroxy-3-methoxybenzyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC18H18O7
  • Average mass346.331 Da
  • Monoisotopic mass346.105255 Da
  • ChemSpider ID57641911
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-5,6-Dihydroxy-3-(4-hydroxy-3-methoxybenzyl)-7-methoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3R)-5,6-Dihydroxy-3-(4-hydroxy-3-methoxybenzyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3R)-5,6-Dihydroxy-3-(4-hydroxy-3-méthoxybenzyl)-7-méthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5,6-dihydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-, (3R)- [ACD/Index Name]
849727-91-9 [RN]
Zebrinin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 628.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 231.2±25.0 °C
Index of Refraction: 1.639
Molar Refractivity: 88.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 79.39
ACD/KOC (pH 5.5): 793.04
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 33.33
ACD/KOC (pH 7.4): 332.90
Polar Surface Area: 105 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 245.4±3.0 cm3

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