ChemSpider 2D Image | (2S,3R,4R,5S)-2,5-Bis{4-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyethoxy]-3-methoxyphenyl}-3,4-dimethyltetrahydrofuran | C42H52O11

(2S,3R,4R,5S)-2,5-Bis{4-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyethoxy]-3-methoxyphenyl}-3,4-dimethyltetrahydrofuran

  • Molecular FormulaC42H52O11
  • Average mass732.856 Da
  • Monoisotopic mass732.350952 Da
  • ChemSpider ID59008083
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2S,3R,4R,5S)-2,5-Bis{4-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyethoxy]-3-methoxyphenyl}-3,4-dimethyltetrahydrofuran [German] [ACD/IUPAC Name]
(2S,3R,4R,5S)-2,5-Bis{4-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyethoxy]-3-methoxyphenyl}-3,4-dimethyltetrahydrofuran [ACD/IUPAC Name]
(2S,3R,4R,5S)-2,5-Bis{4-[(2R)-2-(3,4-diméthoxyphényl)-2-méthoxyéthoxy]-3-méthoxyphényl}-3,4-diméthyltétrahydrofurane [French] [ACD/IUPAC Name]
Furan, 2,5-bis[4-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyethoxy]-3-methoxyphenyl]tetrahydro-3,4-dimethyl-, (2S,3R,4R,5S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 795.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 284.4±32.8 °C
Index of Refraction: 1.545
Molar Refractivity: 202.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20495.90
ACD/KOC (pH 5.5): 42450.00
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20495.90
ACD/KOC (pH 7.4): 42450.00
Polar Surface Area: 102 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 641.8±3.0 cm3

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