ChemSpider 2D Image | 2-[(1R,2S,4S)-2-Hydroxy-1,4-bis(hydroxymethyl)cyclohexyl]ethyl beta-D-glucopyranoside | C16H30O9

2-[(1R,2S,4S)-2-Hydroxy-1,4-bis(hydroxymethyl)cyclohexyl]ethyl β-D-glucopyranoside

  • Molecular FormulaC16H30O9
  • Average mass366.404 Da
  • Monoisotopic mass366.188995 Da
  • ChemSpider ID34251508

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-[(1R,2S,4S)-2-Hydroxy-1,4-bis(hydroxymethyl)cyclohexyl]ethyl β-D-glucopyranoside [ACD/IUPAC Name]
2-[(1R,2S,4S)-2-Hydroxy-1,4-bis(hydroxymethyl)cyclohexyl]ethyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 2-[(1R,2S,4S)-2-hydroxy-1,4-bis(hydroxyméthyl)cyclohexyl]éthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-[(1R,2S,4S)-2-hydroxy-1,4-bis(hydroxymethyl)cyclohexyl]ethyl [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.0±6.0 kJ/mol
Flash Point: 331.4±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 86.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -3.61
ACD/LogD (pH 5.5): -2.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 78.1±5.0 dyne/cm
Molar Volume: 253.6±5.0 cm3

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