ChemSpider 2D Image | (1aR,1bR,2R,5aS,6R,6aR)-6-Hydroxy-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-L-glucopyranoside | C15H22O10

(1aR,1bR,2R,5aS,6R,6aR)-6-Hydroxy-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl β-L-glucopyranoside

  • Molecular FormulaC15H22O10
  • Average mass362.329 Da
  • Monoisotopic mass362.121307 Da
  • ChemSpider ID30791176

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1aR,1bR,2R,5aS,6R,6aR)-6-Hydroxy-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl β-L-glucopyranoside [ACD/IUPAC Name]
(1aR,1bR,2R,5aS,6R,6aR)-6-Hydroxy-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
β-L-Glucopyranoside de (1aR,1bR,2R,5aS,6R,6aR)-6-hydroxy-1a-(hydroxyméthyl)-1a,1b,2,5a,6,6a-hexahydrooxiréno[4,5]cyclopenta[1,2-c]pyran-2-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (1aR,1bR,2R,5aS,6R,6aR)-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 675.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±6.0 kJ/mol
Flash Point: 362.4±31.5 °C
Index of Refraction: 1.679
Molar Refractivity: 79.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -4.15
ACD/LogD (pH 5.5): -3.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 97.9±5.0 dyne/cm
Molar Volume: 209.8±5.0 cm3

Click to predict properties on the Chemicalize site


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