ChemSpider 2D Image | (1R,2R,1'R,2'R)-2,2'-{[(2S,3R,4R,5S)-3,4-Dimethyltetrahydrofuran-2,5-diyl]bis[(2-methoxy-4,1-phenylene)oxy]}bis[1-(3,4-dimethoxyphenyl)-1-propanol] | C42H52O11

(1R,2R,1'R,2'R)-2,2'-{[(2S,3R,4R,5S)-3,4-Dimethyltetrahydrofuran-2,5-diyl]bis[(2-methoxy-4,1-phenylene)oxy]}bis[1-(3,4-dimethoxyphenyl)-1-propanol]

  • Molecular FormulaC42H52O11
  • Average mass732.856 Da
  • Monoisotopic mass732.350952 Da
  • ChemSpider ID13081421

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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(1R,2R,1'R,2'R)-2,2'-{[(2S,3R,4R,5S)-3,4-Dimethyltetrahydrofuran-2,5-diyl]bis[(2-methoxy-4,1-phenylen)oxy]}bis[1-(3,4-dimethoxyphenyl)-1-propanol] [German] [ACD/IUPAC Name]
(1R,2R,1'R,2'R)-2,2'-{[(2S,3R,4R,5S)-3,4-Dimethyltetrahydrofuran-2,5-diyl]bis[(2-methoxy-4,1-phenylene)oxy]}bis[1-(3,4-dimethoxyphenyl)-1-propanol] [ACD/IUPAC Name]
(1R,2R,1'R,2'R)-2,2'-{[(2S,3R,4R,5S)-3,4-Diméthyltétrahydrofurane-2,5-diyl]bis[(2-méthoxy-4,1-phénylène)oxy]}bis[1-(3,4-diméthoxyphényl)-1-propanol] [French] [ACD/IUPAC Name]
88497-87-4 [RN]
Benzenemethanol, α,α'-[[(2S,3R,4R,5S)-tetrahydro-3,4-dimethyl-2,5-furandiyl]bis[(2-methoxy-4,1-phenylene)oxy(1R)ethylidene]]bis[3,4-dimethoxy-, (αR)- [ACD/Index Name]
Manassantin A
(1R,2R,1'R,2'R)-2,2'-{[(2S,3R,4R,5S)-3,4-dimethyltetrahydrofuran-2,5-diyl]bis[(2-methoxybenzene-4,1-diyl)oxy]}bis[1-(3,4-dimethoxyphenyl)propan-1-ol]
Saucernetin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 836.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 459.4±34.3 °C
Index of Refraction: 1.561
Molar Refractivity: 202.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3247.26
ACD/KOC (pH 5.5): 11353.72
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3247.25
ACD/KOC (pH 7.4): 11353.69
Polar Surface Area: 124 Å2
Polarizability: 80.2±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 624.8±3.0 cm3

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