ChemSpider 2D Image | 2-[(beta-D-Glucopyranosyloxy)methyl]-2-hexyloctyl beta-D-glucopyranoside | C27H52O12

2-[(β-D-Glucopyranosyloxy)methyl]-2-hexyloctyl β-D-glucopyranoside

  • Molecular FormulaC27H52O12
  • Average mass568.695 Da
  • Monoisotopic mass568.345886 Da
  • ChemSpider ID71116864

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-[(β-D-Glucopyranosyloxy)methyl]-2-hexyloctyl β-D-glucopyranoside [ACD/IUPAC Name]
2-[(β-D-Glucopyranosyloxy)methyl]-2-hexyloctyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 2-[(β-D-glucopyranosyloxy)méthyl]-2-hexyloctyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-[(β-D-glucopyranosyloxy)methyl]-2-hexyloctyl [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[2-hexyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]octoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1257853-32-9 [RN]
2,2-Dihexylpropane-1,3-bis b-D-glucopyranoside
2,2-Dihexylpropane-1,3-bis-\xa6\xc2-D-glucopyranoside
Octyl Glucose Neopentyl Glycol
Octyl glucose neopentyl glycol|Octyl MNG
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 754.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.4±6.0 kJ/mol
Flash Point: 409.9±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 142.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 5.00
ACD/KOC (pH 5.5): 110.13
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 5.00
ACD/KOC (pH 7.4): 110.13
Polar Surface Area: 199 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 441.9±5.0 cm3

Click to predict properties on the Chemicalize site


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