ChemSpider 2D Image | 3-(2-Hydroxyethyl)-4-(hydroxymethyl)-5-hexen-1-yl beta-D-glucopyranoside | C15H28O8

3-(2-Hydroxyethyl)-4-(hydroxymethyl)-5-hexen-1-yl β-D-glucopyranoside

  • Molecular FormulaC15H28O8
  • Average mass336.378 Da
  • Monoisotopic mass336.178406 Da
  • ChemSpider ID22914105

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

3-(2-Hydroxyethyl)-4-(hydroxymethyl)-5-hexen-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
3-(2-Hydroxyethyl)-4-(hydroxymethyl)-5-hexen-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 3-(2-hydroxyéthyl)-4-(hydroxyméthyl)-5-hexén-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3-(2-hydroxyethyl)-4-(hydroxymethyl)-5-hexen-1-yl [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[3-(2-hydroxyethyl)-4-(hydroxymethyl)hex-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Compound NP-013541

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

Density: 1.3±0.1 g/cm3
Boiling Point: 614.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.5±6.0 kJ/mol
Flash Point: 325.3±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 81.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -3.00
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.70
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.70
Polar Surface Area: 140 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 253.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement