ChemSpider 2D Image | {[6-Hydroxy-3-{[4-hydroxy-6-(hydroxymethyl)-3,5-dimethoxytetrahydro-2H-pyran-2-yl]oxy}-2-(hydroxymethyl)-3,5-dimethoxytetrahydro-2H-pyran-4-yl]oxy}acetic acid (non-preferred name) | C18H32O14

{[6-Hydroxy-3-{[4-hydroxy-6-(hydroxymethyl)-3,5-dimethoxytetrahydro-2H-pyran-2-yl]oxy}-2-(hydroxymethyl)-3,5-dimethoxytetrahydro-2H-pyran-4-yl]oxy}acetic acid (non-preferred name)

  • Molecular FormulaC18H32O14
  • Average mass472.438 Da
  • Monoisotopic mass472.179199 Da
  • ChemSpider ID57487606

More details:

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

{[6-Hydroxy-3-{[4-hydroxy-6-(hydroxymethyl)-3,5-dimethoxytetrahydro-2H-pyran-2-yl]oxy}-2-(hydroxymethyl)-3,5-dimethoxytetrahydro-2H-pyran-4-yl]oxy}acetic acid (non-preferred name) [ACD/IUPAC Name]
{[6-Hydroxy-3-{[4-hydroxy-6-(hydroxymethyl)-3,5-dimethoxytetrahydro-2H-pyran-2-yl]oxy}-2-(hydroxymethyl)-3,5-dimethoxytetrahydro-2H-pyran-4-yl]oxy}essigsäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide {[6-hydroxy-3-{[4-hydroxy-6-(hydroxyméthyl)-3,5-diméthoxytétrahydro-2H-pyran-2-yl]oxy}-2-(hydroxyméthyl)-3,5-diméthoxytétrahydro-2H-pyran-4-yl]oxy}acétique (non-preferred name) [French] [ACD/IUPAC Name]
[(6-HYDROXY-3-{[4-HYDROXY-6-(HYDROXYMETHYL)-3,5-DIMETHOXYOXAN-2-YL]OXY}-2-(HYDROXYMETHYL)-3,5-DIMETHOXYOXAN-4-YL)OXY]ACETIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 704.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 242.9±26.4 °C
Index of Refraction: 1.545
Molar Refractivity: 102.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.61
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 325.5±5.0 cm3

Click to predict properties on the Chemicalize site


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