ChemSpider 2D Image | (5S,5aS,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl [2-(dimethylamino)ethyl]carbamate | C26H30N2O9

(5S,5aS,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl [2-(dimethylamino)ethyl]carbamate

  • Molecular FormulaC26H30N2O9
  • Average mass514.524 Da
  • Monoisotopic mass514.195129 Da
  • ChemSpider ID9539216

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S,5aS,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl [2-(dimethylamino)ethyl]carbamate [ACD/IUPAC Name]
(5S,5aS,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl-[2-(dimethylamino)ethyl]carbamat [German] [ACD/IUPAC Name]
[2-(Diméthylamino)éthyl]carbamate de (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-diméthoxyphényl)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-5-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[2-(dimethylamino)ethyl]-, (5S,5aS,8aR,9R)-5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-6-oxofuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-5-yl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 697.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 375.5±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 129.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 3.18
ACD/KOC (pH 7.4): 54.88
Polar Surface Area: 125 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 362.4±5.0 cm3

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