ChemSpider 2D Image | (2S,3S,4R)-7-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-dimethyl-3,4-dihydro-1(2H)-naphthalenone | C20H22O5

(2S,3S,4R)-7-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-dimethyl-3,4-dihydro-1(2H)-naphthalenone

  • Molecular FormulaC20H22O5
  • Average mass342.386 Da
  • Monoisotopic mass342.146729 Da
  • ChemSpider ID24675028

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4R)-7-Hydroxy-4-(4-hydroxy-3-méthoxyphényl)-6-méthoxy-2,3-diméthyl-3,4-dihydro-1(2H)-naphtalénone [French] [ACD/IUPAC Name]
(2S,3S,4R)-7-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-dimethyl-3,4-dihydro-1(2H)-naphthalenone [ACD/IUPAC Name]
(2S,3S,4R)-7-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-dimethyl-3,4-dihydro-1(2H)-naphthalinon [German] [ACD/IUPAC Name]
1(2H)-Naphthalenone, 3,4-dihydro-7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-dimethyl-, (2S,3S,4R)- [ACD/Index Name]
117047-76-4 [RN]
ARISANTETRALONE A
Wulignan A1

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 187.1±23.6 °C
Index of Refraction: 1.583
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 229.80
ACD/KOC (pH 5.5): 1705.45
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 226.86
ACD/KOC (pH 7.4): 1683.64
Polar Surface Area: 76 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 281.8±3.0 cm3

Click to predict properties on the Chemicalize site


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