ChemSpider 2D Image | (5aR,6S,11aR)-6-(4-Hydroxy-3-methoxyphenyl)-9-methoxy-3,3-dimethyl-1,5,5a,6,11,11a-hexahydronaphtho[2,3-e][1,3]dioxepin-8-ol | C23H28O6

(5aR,6S,11aR)-6-(4-Hydroxy-3-methoxyphenyl)-9-methoxy-3,3-dimethyl-1,5,5a,6,11,11a-hexahydronaphtho[2,3-e][1,3]dioxepin-8-ol

  • Molecular FormulaC23H28O6
  • Average mass400.465 Da
  • Monoisotopic mass400.188599 Da
  • ChemSpider ID28424314

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5aR,6S,11aR)-6-(4-Hydroxy-3-methoxyphenyl)-9-methoxy-3,3-dimethyl-1,5,5a,6,11,11a-hexahydronaphtho[2,3-e][1,3]dioxepin-8-ol [German] [ACD/IUPAC Name]
(5aR,6S,11aR)-6-(4-Hydroxy-3-methoxyphenyl)-9-methoxy-3,3-dimethyl-1,5,5a,6,11,11a-hexahydronaphtho[2,3-e][1,3]dioxepin-8-ol [ACD/IUPAC Name]
(5aR,6S,11aR)-6-(4-Hydroxy-3-méthoxyphényl)-9-méthoxy-3,3-diméthyl-1,5,5a,6,11,11a-hexahydronaphto[2,3-e][1,3]dioxépin-8-ol [French] [ACD/IUPAC Name]
Naphtho[2,3-e][1,3]dioxepin-8-ol, 1,5,5a,6,11,11a-hexahydro-6-(4-hydroxy-3-methoxyphenyl)-9-methoxy-3,3-dimethyl-, (5aR,6S,11aR)- [ACD/Index Name]
[252333-71-4] [RN]
252333-71-4 [RN]
9,9'-O-Isopropyllidene-isolariciresinol
Isolariciresinol 9,9/'-acetonide
Isolariciresinol 9,9'-acetonide
MFCD20260443

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

Density: 1.2±0.1 g/cm3
Boiling Point: 554.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 289.3±30.1 °C
Index of Refraction: 1.563
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.46
ACD/KOC (pH 5.5): 888.90
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.04
ACD/KOC (pH 7.4): 884.86
Polar Surface Area: 77 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 335.5±3.0 cm3

Click to predict properties on the Chemicalize site


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