ChemSpider 2D Image | 2-{[6-{[5-Acetoxy-4-hydroxy-2-(hydroxymethyl)-6-methyltetrahydro-2H-pyran-3-yl]oxy}-2-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yl]oxy}methyl)-4,5-dihydroxytetrahydro-2H-pyran- 3-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-3-yl 4,5-dihydroxy-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3-yl hexanedioate | C42H70O29

2-{[6-{[5-Acetoxy-4-hydroxy-2-(hydroxymethyl)-6-methyltetrahydro-2H-pyran-3-yl]oxy}-2-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yl]oxy}methyl)-4,5-dihydroxytetrahydro-2H-pyran- 3-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-3-yl 4,5-dihydroxy-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3-yl hexanedioate

  • Molecular FormulaC42H70O29
  • Average mass1038.988 Da
  • Monoisotopic mass1038.400269 Da
  • ChemSpider ID21258149

More details:

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

2-{[6-{[5-Acetoxy-4-hydroxy-2-(hydroxymethyl)-6-methyltetrahydro-2H-pyran-3-yl]oxy}-2-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yl]oxy}methyl)-4,5-dihydroxytetrahydro-2H-pyran- 3-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-3-yl 4,5-dihydroxy-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3-yl hexanedioate [ACD/IUPAC Name]
2-{[6-{[5-Acetoxy-4-hydroxy-2-(hydroxymethyl)-6-methyltetrahydro-2H-pyran-3-yl]oxy}-2-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yl]oxy}methyl)-4,5-dihydroxytetrahydro-2H-pyran- 3-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-3-yl-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3-yl-hexandioat [German] [ACD/IUPAC Name]
Hexanedioate de 2-{[6-{[5-acétoxy-4-hydroxy-2-(hydroxyméthyl)-6-méthyltétrahydro-2H-pyran-3-yl]oxy}-2-({[3,4-dihydroxy-6-(hydroxyméthyl)-5-méthoxytétrahydro-2H-pyran-2-yl]oxy}méthyl)-4,5-dihydroxytétr ahydro-2H-pyran-3-yl]oxy}-4-hydroxy-6-(hydroxyméthyl)-5-méthoxytétrahydro-2H-pyran-3-yle et de 4,5-dihydroxy-2-(hydroxyméthyl)-6-méthoxytétrahydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1132.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 188.6±6.0 kJ/mol
Flash Point: 324.3±27.8 °C
Index of Refraction: 1.598
Molar Refractivity: 228.9±0.4 cm3
#H bond acceptors: 29
#H bond donors: 12
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: -3.42
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 423 Å2
Polarizability: 90.8±0.5 10-24cm3
Surface Tension: 81.8±5.0 dyne/cm
Molar Volume: 671.3±5.0 cm3

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