ChemSpider 2D Image | 1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-{4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1,3-propanediol | C32H38O12

1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-{4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1,3-propanediol

  • Molecular FormulaC32H38O12
  • Average mass614.637 Da
  • Monoisotopic mass614.236328 Da
  • ChemSpider ID30770849

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-{4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1,3-propandiol [German] [ACD/IUPAC Name]
1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-{4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1,3-propanediol [ACD/IUPAC Name]
1-(4-Hydroxy-3,5-diméthoxyphényl)-2-{4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3,5-diméthoxyphényl)tétrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-méthoxyphénoxy}-1,3-propanediol [French] [ACD/IUPAC Name]
1,3-Propanediol, 1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[2-methoxy-4-[(1R,3aS,4R,6aS)-tetrahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenoxy]- [ACD/Index Name]
kandelisesquilignan B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 837.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.5±3.0 kJ/mol
Flash Point: 460.0±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 158.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.20
ACD/KOC (pH 5.5): 143.01
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.16
ACD/KOC (pH 7.4): 142.13
Polar Surface Area: 155 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 464.1±3.0 cm3

Click to predict properties on the Chemicalize site


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