ChemSpider 2D Image | (2E)-3,7-Dimethyl-2,6-octadien-1-yl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside | C21H36O10

(2E)-3,7-Dimethyl-2,6-octadien-1-yl 6-O-α-L-arabinofuranosyl-β-D-glucopyranoside

  • Molecular FormulaC21H36O10
  • Average mass448.504 Da
  • Monoisotopic mass448.230835 Da
  • ChemSpider ID22936684

  • 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

(2E)-3,7-Dimethyl-2,6-octadien-1-yl 6-O-α-L-arabinofuranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(2E)-3,7-Dimethyl-2,6-octadien-1-yl-6-O-α-L-arabinofuranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-α-L-Arabinofuranosyl-β-D-glucopyranoside de (2E)-3,7-diméthyl-2,6-octadién-1-yle [French] [ACD/IUPAC Name]
84534-32-7 [RN]
β-D-Glucopyranoside, (2E)-3,7-dimethyl-2,6-octadien-1-yl 6-O-α-L-arabinofuranosyl- [ACD/Index Name]
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
Compound NP-015223
Geranyl 6-O-α-L-arabinofuranosyl-β-D-glucopyranoside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 687.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.3±6.0 kJ/mol
Flash Point: 369.6±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 110.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.04
ACD/KOC (pH 5.5): 126.16
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.04
ACD/KOC (pH 7.4): 126.16
Polar Surface Area: 158 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 336.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement