ChemSpider 2D Image | (3aR,4R,9R,9aR)-1-Oxo-9-(3,4,5-trimethoxyphenyl)-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-4,6,7-triyl triacetate | C27H28O11

(3aR,4R,9R,9aR)-1-Oxo-9-(3,4,5-trimethoxyphenyl)-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-4,6,7-triyl triacetate

  • Molecular FormulaC27H28O11
  • Average mass528.505 Da
  • Monoisotopic mass528.163147 Da
  • ChemSpider ID9061186

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aR,4R,9R,9aR)-1-Oxo-9-(3,4,5-trimethoxyphenyl)-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-4,6,7-triyl triacetate [ACD/IUPAC Name]
(3aR,4R,9R,9aR)-1-Oxo-9-(3,4,5-trimethoxyphenyl)-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-4,6,7-triyl-triacetat [German] [ACD/IUPAC Name]
Naphtho[2,3-c]furan-1(3H)-one, 4,6,7-tris(acetyloxy)-3a,4,9,9a-tetrahydro-9-(3,4,5-trimethoxyphenyl)-, (3aR,4R,9R,9aR)- [ACD/Index Name]
Triacétate de (3aR,4R,9R,9aR)-1-oxo-9-(3,4,5-triméthoxyphényl)-1,3,3a,4,9,9a-hexahydronaphto[2,3-c]furane-4,6,7-triyle [French] [ACD/IUPAC Name]
Acetic acid (3aR,4R,9R,9aR)-6,7-diacetoxy-1-oxo-9-(3,4,5-trimethoxy-phenyl)-1,3,3a,4,9,9a-hexahydro-naphtho[2,3-c]furan-4-yl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 659.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 279.6±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.95
ACD/KOC (pH 5.5): 337.99
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.95
ACD/KOC (pH 7.4): 337.99
Polar Surface Area: 133 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 385.9±5.0 cm3

Click to predict properties on the Chemicalize site


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