ChemSpider 2D Image | Methyl [(2R,3S,4R,6R)-4-(benzyloxy)-6-({2-[(2R,3S,4R,6R)-4-(benzyloxy)-6-(hydroxymethyl)-3-methyltetrahydro-2H-pyran-2-yl]acetoxy}methyl)-3-methyltetrahydro-2H-pyran-2-yl]acetate | C33H44O9

Methyl [(2R,3S,4R,6R)-4-(benzyloxy)-6-({2-[(2R,3S,4R,6R)-4-(benzyloxy)-6-(hydroxymethyl)-3-methyltetrahydro-2H-pyran-2-yl]acetoxy}methyl)-3-methyltetrahydro-2H-pyran-2-yl]acetate

  • Molecular FormulaC33H44O9
  • Average mass584.697 Da
  • Monoisotopic mass584.298523 Da
  • ChemSpider ID9236104

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,3S,4R,6R)-4-(Benzyloxy)-6-({2-[(2R,3S,4R,6R)-4-(benzyloxy)-6-(hydroxyméthyl)-3-méthyltétrahydro-2H-pyran-2-yl]acétoxy}méthyl)-3-méthyltétrahydro-2H-pyran-2-yl]acétate de méthyle (non-preferred na me) [French] [ACD/IUPAC Name]
Methyl [(2R,3S,4R,6R)-4-(benzyloxy)-6-({2-[(2R,3S,4R,6R)-4-(benzyloxy)-6-(hydroxymethyl)-3-methyltetrahydro-2H-pyran-2-yl]acetoxy}methyl)-3-methyltetrahydro-2H-pyran-2-yl]acetate [ACD/IUPAC Name]
Methyl-[(2R,3S,4R,6R)-4-(benzyloxy)-6-({2-[(2R,3S,4R,6R)-4-(benzyloxy)-6-(hydroxymethyl)-3-methyltetrahydro-2H-pyran-2-yl]acetoxy}methyl)-3-methyltetrahydro-2H-pyran-2-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 673.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 207.0±25.0 °C
Index of Refraction: 1.559
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2680.21
ACD/KOC (pH 5.5): 9896.43
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2680.21
ACD/KOC (pH 7.4): 9896.43
Polar Surface Area: 110 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 485.2±5.0 cm3

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