ChemSpider 2D Image | beta-D-Glucopyranosyl 6-O-(8-methylnonanoyl)-beta-D-glucopyranoside | C22H40O12

β-D-Glucopyranosyl 6-O-(8-methylnonanoyl)-β-D-glucopyranoside

  • Molecular FormulaC22H40O12
  • Average mass496.546 Da
  • Monoisotopic mass496.251984 Da
  • ChemSpider ID29814847

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

6-O-(8-Méthylnonanoyl)-β-D-glucopyranoside de β-D-glucopyranosyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, β-D-glucopyranosyl 6-O-(8-methyl-1-oxononyl)- [ACD/Index Name]
β-D-Glucopyranosyl 6-O-(8-methylnonanoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
β-D-Glucopyranosyl-6-O-(8-methylnonanoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 8-methylnonanoate
Compound NP-019286

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

Density: 1.4±0.1 g/cm3
Boiling Point: 689.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.6±6.0 kJ/mol
Flash Point: 228.7±25.0 °C
Index of Refraction: 1.563
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.98
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.98
Polar Surface Area: 196 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 361.3±5.0 cm3

Click to predict properties on the Chemicalize site


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