ChemSpider 2D Image | (1S,5R)-1,5-Anhydro-5-(2-methoxyethyl)-4-O-methyl-1-{(5E,7S)-4,7,8-tris[(2,2-dimethylpropanoyl)oxy]-5-octen-2-yn-1-yl}-D-xylitol | C32H52O11

(1S,5R)-1,5-Anhydro-5-(2-methoxyethyl)-4-O-methyl-1-{(5E,7S)-4,7,8-tris[(2,2-dimethylpropanoyl)oxy]-5-octen-2-yn-1-yl}-D-xylitol

  • Molecular FormulaC32H52O11
  • Average mass612.749 Da
  • Monoisotopic mass612.351013 Da
  • ChemSpider ID9472500

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1S,5R)-1,5-Anhydro-5-(2-methoxyethyl)-4-O-methyl-1-{(5E,7S)-4,7,8-tris[(2,2-dimethylpropanoyl)oxy]-5-octen-2-in-1-yl}-D-xylitol [German] [ACD/IUPAC Name]
(1S,5R)-1,5-Anhydro-5-(2-methoxyethyl)-4-O-methyl-1-{(5E,7S)-4,7,8-tris[(2,2-dimethylpropanoyl)oxy]-5-octen-2-yn-1-yl}-D-xylitol [ACD/IUPAC Name]
(1S,5R)-1,5-Anhydro-5-(2-méthoxyéthyl)-4-O-méthyl-1-{(5E,7S)-4,7,8-tris[(2,2-diméthylpropanoyl)oxy]-5-octén-2-yn-1-yl}-D-xylitol [French] [ACD/IUPAC Name]
D-erythro-L-galacto-Pentadec-3-en-6-ynitol, 9,13-anhydro-3,4,6,7,8,14-hexadeoxy-12,15-di-O-methyl-, 1,2,5-tris(2,2-dimethylpropanoate), (3E,5ξ)- [ACD/Index Name]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 665.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 112.0±0.0 kJ/mol
Flash Point: 197.6±0.0 °C
Index of Refraction: 1.508
Molar Refractivity: 159.8±0.0 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1521.76
ACD/KOC (pH 5.5): 6599.67
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1521.76
ACD/KOC (pH 7.4): 6599.65
Polar Surface Area: 147 Å2
Polarizability: 63.4±0.0 10-24cm3
Surface Tension: 45.9±0.0 dyne/cm
Molar Volume: 535.4±0.0 cm3

Click to predict properties on the Chemicalize site


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