ChemSpider 2D Image | 2-{(2R,3R,4R,5R,6R)-6-[(1S)-1-Hydroxy-2-oxopropyl]-3,4-bis[(4-methoxybenzyl)oxy]-5-methyltetrahydro-2H-pyran-2-yl}-N-methoxy-N-methylacetamide | C29H39NO9

2-{(2R,3R,4R,5R,6R)-6-[(1S)-1-Hydroxy-2-oxopropyl]-3,4-bis[(4-methoxybenzyl)oxy]-5-methyltetrahydro-2H-pyran-2-yl}-N-methoxy-N-methylacetamide

  • Molecular FormulaC29H39NO9
  • Average mass545.621 Da
  • Monoisotopic mass545.262512 Da
  • ChemSpider ID9781112

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2-{(2R,3R,4R,5R,6R)-6-[(1S)-1-Hydroxy-2-oxopropyl]-3,4-bis[(4-methoxybenzyl)oxy]-5-methyltetrahydro-2H-pyran-2-yl}-N-methoxy-N-methylacetamid [German] [ACD/IUPAC Name]
2-{(2R,3R,4R,5R,6R)-6-[(1S)-1-Hydroxy-2-oxopropyl]-3,4-bis[(4-methoxybenzyl)oxy]-5-methyltetrahydro-2H-pyran-2-yl}-N-methoxy-N-methylacetamide [ACD/IUPAC Name]
2-{(2R,3R,4R,5R,6R)-6-[(1S)-1-Hydroxy-2-oxopropyl]-3,4-bis[(4-méthoxybenzyl)oxy]-5-méthyltétrahydro-2H-pyran-2-yl}-N-méthoxy-N-méthylacétamide [French] [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: 655.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 350.4±34.3 °C
Index of Refraction: 1.563
Molar Refractivity: 144.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.25
ACD/KOC (pH 5.5): 1632.95
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.25
ACD/KOC (pH 7.4): 1632.93
Polar Surface Area: 113 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 443.9±5.0 cm3

Click to predict properties on the Chemicalize site


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