ChemSpider 2D Image | (5R,5aR,8aR,9R)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 5-methyl-1,2-oxazole-3-carboxylate | C27H25NO10

(5R,5aR,8aR,9R)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 5-methyl-1,2-oxazole-3-carboxylate

  • Molecular FormulaC27H25NO10
  • Average mass523.488 Da
  • Monoisotopic mass523.147827 Da
  • ChemSpider ID76770853

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5R,5aR,8aR,9R)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 5-methyl-1,2-oxazole-3-carboxylate [ACD/IUPAC Name]
(5R,5aR,8aR,9R)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl-5-methyl-1,2-oxazol-3-carboxylat [German] [ACD/IUPAC Name]
3-Isoxazolecarboxylic acid, 5-methyl-, (5R,5aR,8aR,9R)-5,5a,6,8,8a,9-hexahydro-8-oxo-9-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-5-yl ester [ACD/Index Name]
5-Méthyl-1,2-oxazole-3-carboxylate de (5R,5aR,8aR,9R)-8-oxo-9-(3,4,5-triméthoxyphényl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-5-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 691.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 371.8±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.00
ACD/KOC (pH 5.5): 779.80
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.00
ACD/KOC (pH 7.4): 779.80
Polar Surface Area: 125 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 358.6±5.0 cm3

Click to predict properties on the Chemicalize site


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