ChemSpider 2D Image | (1E,3R,4R)-4-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]-4-hydroxy-3-methyl-1-buten-1-yl 2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-alpha-D-glucopyranoside | C40H64O11

(1E,3R,4R)-4-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]-4-hydroxy-3-methyl-1-buten-1-yl 2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-α-D-glucopyranoside

  • Molecular FormulaC40H64O11
  • Average mass720.930 Da
  • Monoisotopic mass720.444885 Da
  • ChemSpider ID9258261

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1E,3R,4R)-4-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]-4-hydroxy-3-methyl-1-buten-1-yl 2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-α-D-glucopyranoside [ACD/IUPAC Name]
(1E,3R,4R)-4-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]-4-hydroxy-3-methyl-1-buten-1-yl-2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2,3,4,6-Tétrakis-O-(2,2-diméthylpropanoyl)-α-D-glucopyranoside de (1E,3R,4R)-4-[(1R,5S)-6,6-diméthylbicyclo[3.1.1]hept-2-én-2-yl]-4-hydroxy-3-méthyl-1-butén-1-yle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1E,3R,4R)-4-[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]-4-hydroxy-3-methyl-1-buten-1-yl, tetrakis(2,2-dimethylpropanoate) [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: 705.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.9±6.0 kJ/mol
Flash Point: 198.0±26.4 °C
Index of Refraction: 1.518
Molar Refractivity: 193.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 10.26
ACD/LogD (pH 5.5): 9.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2680771.75
ACD/LogD (pH 7.4): 9.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2680771.75
Polar Surface Area: 144 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 637.5±5.0 cm3

Click to predict properties on the Chemicalize site


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