ChemSpider 2D Image | (5S)-4-Deoxy-3,5-O-(3,4-dimethoxybenzylidene)-1-O-(2,2-dimethylpropanoyl)-5-C-[(2S,3R,4E,6S)-7-hydroxy-3-(methoxymethoxy)-4,6-dimethyl-4-hepten-2-yl]-2-O-(methoxymethyl)-4-methyl-D-xylitol | C33H54O11

(5S)-4-Deoxy-3,5-O-(3,4-dimethoxybenzylidene)-1-O-(2,2-dimethylpropanoyl)-5-C-[(2S,3R,4E,6S)-7-hydroxy-3-(methoxymethoxy)-4,6-dimethyl-4-hepten-2-yl]-2-O-(methoxymethyl)-4-methyl-D-xylitol

  • Molecular FormulaC33H54O11
  • Average mass626.775 Da
  • Monoisotopic mass626.366638 Da
  • ChemSpider ID8683606

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5S)-4-Deoxy-3,5-O-(3,4-dimethoxybenzylidene)-1-O-(2,2-dimethylpropanoyl)-5-C-[(2S,3R,4E,6S)-7-hydroxy-3-(methoxymethoxy)-4,6-dimethyl-4-hepten-2-yl]-2-O-(methoxymethyl)-4-methyl-D-xylitol [ACD/IUPAC Name]
(5S)-4-Desoxy-3,5-O-(3,4-dimethoxybenzyliden)-1-O-(2,2-dimethylpropanoyl)-5-C-[(2S,3R,4E,6S)-7-hydroxy-3-(methoxymethoxy)-4,6-dimethyl-4-hepten-2-yl]-2-O-(methoxymethyl)-4-methyl-D-xylitol [German] [ACD/IUPAC Name]
(5S)-4-Désoxy-3,5-O-(3,4-diméthoxybenzylidène)-1-O-(2,2-diméthylpropanoyl)-5-C-[(2S,3R,4E,6S)-7-hydroxy-3-(méthoxyméthoxy)-4,6-diméthyl-4-heptén-2-yl]-2-O-(méthoxyméthyl)-4-méthyl-D-xylitol [French] [ACD/IUPAC Name]
D-xylo-L-ido-Undec-8-enitol, 4,6,8,9,10-pentadeoxy-3,5-O-[(3,4-dimethoxyphenyl)methylene]-2,7-bis-O-(methoxymethyl)-4,6,8,10-tetramethyl-, 1-(2,2-dimethylpropanoate), (8E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 675.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 200.1±25.0 °C
Index of Refraction: 1.490
Molar Refractivity: 166.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2972.56
ACD/KOC (pH 5.5): 10657.65
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2972.56
ACD/KOC (pH 7.4): 10657.65
Polar Surface Area: 120 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 576.7±3.0 cm3

Click to predict properties on the Chemicalize site


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