ChemSpider 2D Image | 2-{(2S,4S)-6-(Benzyloxy)-2-[(benzyloxy)methoxy]-4-[(4-methoxybenzyl)oxy]hexyl}-4H-pyran-4-one | C34H38O7

2-{(2S,4S)-6-(Benzyloxy)-2-[(benzyloxy)methoxy]-4-[(4-methoxybenzyl)oxy]hexyl}-4H-pyran-4-one

  • Molecular FormulaC34H38O7
  • Average mass558.661 Da
  • Monoisotopic mass558.261780 Da
  • ChemSpider ID9788531

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-{(2S,4S)-6-(Benzyloxy)-2-[(benzyloxy)methoxy]-4-[(4-methoxybenzyl)oxy]hexyl}-4H-pyran-4-on [German] [ACD/IUPAC Name]
2-{(2S,4S)-6-(Benzyloxy)-2-[(benzyloxy)methoxy]-4-[(4-methoxybenzyl)oxy]hexyl}-4H-pyran-4-one [ACD/IUPAC Name]
2-{(2S,4S)-6-(Benzyloxy)-2-[(benzyloxy)méthoxy]-4-[(4-méthoxybenzyl)oxy]hexyl}-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2-[(2S,4S)-4-[(4-methoxyphenyl)methoxy]-6-(phenylmethoxy)-2-[(phenylmethoxy)methoxy]hexyl]- [ACD/Index 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: 702.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 291.3±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 157.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14469.32
ACD/KOC (pH 5.5): 33085.42
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14469.32
ACD/KOC (pH 7.4): 33085.42
Polar Surface Area: 72 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 480.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement