ChemSpider 2D Image | 4,4'-[(1S,2S,7R,8R,9S)-1,7,8-Tris(hydroxymethyl)-4-methoxy-1,2,6,7,8,9-hexahydronaphtho[2,1-b]furan-2,9-diyl]bis(2-methoxyphenol) | C30H34O9

4,4'-[(1S,2S,7R,8R,9S)-1,7,8-Tris(hydroxymethyl)-4-methoxy-1,2,6,7,8,9-hexahydronaphtho[2,1-b]furan-2,9-diyl]bis(2-methoxyphenol)

  • Molecular FormulaC30H34O9
  • Average mass538.586 Da
  • Monoisotopic mass538.220276 Da
  • ChemSpider ID62768752

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4,4'-[(1S,2S,7R,8R,9S)-1,7,8-Tris(hydroxymethyl)-4-methoxy-1,2,6,7,8,9-hexahydronaphtho[2,1-b]furan-2,9-diyl]bis(2-methoxyphenol) [German] [ACD/IUPAC Name]
4,4'-[(1S,2S,7R,8R,9S)-1,7,8-Tris(hydroxymethyl)-4-methoxy-1,2,6,7,8,9-hexahydronaphtho[2,1-b]furan-2,9-diyl]bis(2-methoxyphenol) [ACD/IUPAC Name]
4,4'-[(1S,2S,7R,8R,9S)-1,7,8-Tris(hydroxyméthyl)-4-méthoxy-1,2,6,7,8,9-hexahydronaphto[2,1-b]furane-2,9-diyl]bis(2-méthoxyphénol) [French] [ACD/IUPAC Name]
Naphtho[2,1-b]furan-1,7,8-trimethanol, 1,2,6,7,8,9-hexahydro-2,9-bis(4-hydroxy-3-methoxyphenyl)-4-methoxy-, (1S,2S,7R,8R,9S)- [ACD/Index Name]
1373888-27-7 [RN]
4-[(1S,2S,7R,8R,9S)-2-(4-hydroxy-3-methoxyphenyl)-1,7,8-tris(hydroxymethyl)-4-methoxy-1,2,6,7,8,9-hexahydrobenzo[e][1]benzofuran-9-yl]-2-methoxyphenol
Spathulatol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 732.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 396.7±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 143.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 33.01
ACD/KOC (pH 5.5): 425.25
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.81
ACD/KOC (pH 7.4): 422.71
Polar Surface Area: 138 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 409.3±3.0 cm3

Click to predict properties on the Chemicalize site


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