ChemSpider 2D Image | MFCD02675796 | C30H29NO10

MFCD02675796

  • Molecular FormulaC30H29NO10
  • Average mass563.552 Da
  • Monoisotopic mass563.179138 Da
  • ChemSpider ID22890904

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(5R)-5-[(1S)-4,5-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isochinolin-9-yl}methyl-4-methoxybenzoat [German] [ACD/IUPAC Name]
{(5R)-5-[(1S)-4,5-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl}methyl 4-methoxybenzoate [ACD/IUPAC Name]
4-Méthoxybenzoate de {(5R)-5-[(1S)-4,5-diméthoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-méthoxy-5,6,7,8-tétrahydro[1,3]dioxolo[4,5-g]isoquinoléin-9-yl}méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methoxy-, [(5R)-5-[(1S)-1,3-dihydro-4,5-dimethoxy-3-oxo-1-isobenzofuranyl]-5,6,7,8-tetrahydro-4-methoxy-1,3-dioxolo[4,5-g]isoquinolin-9-yl]methyl ester [ACD/Index Name]
MFCD02675796

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

Density: 1.3±0.1 g/cm3
Boiling Point: 737.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 400.1±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 13.61
ACD/KOC (pH 5.5): 92.50
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 244.28
ACD/KOC (pH 7.4): 1660.32
Polar Surface Area: 120 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 417.8±3.0 cm3

Click to predict properties on the Chemicalize site


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