ChemSpider 2D Image | Methyl (6R)-4,5-di-O-acetyl-2,6-anhydro-3-deoxy-2-(2-oxo-2-phenylethyl)-6-[(1S,2R)-1,2,3-triacetoxypropyl]-L-lyxo-hexonate | C28H34O14

Methyl (6R)-4,5-di-O-acetyl-2,6-anhydro-3-deoxy-2-(2-oxo-2-phenylethyl)-6-[(1S,2R)-1,2,3-triacetoxypropyl]-L-lyxo-hexonate

  • Molecular FormulaC28H34O14
  • Average mass594.561 Da
  • Monoisotopic mass594.194885 Da
  • ChemSpider ID8252748
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(6R)-4,5-Di-O-acétyl-2,6-anhydro-3-désoxy-2-(2-oxo-2-phényléthyl)-6-[(1S,2R)-1,2,3-triacétoxypropyl]-L-lyxo-hexonate de méthyle [French] [ACD/IUPAC Name]
D-threo-L-manno-Nononic acid, 2,6-anhydro-3-deoxy-2-C-(2-oxo-2-phenylethyl)-, methyl ester, pentaacetate [ACD/Index Name]
Methyl (6R)-4,5-di-O-acetyl-2,6-anhydro-3-deoxy-2-(2-oxo-2-phenylethyl)-6-[(1S,2R)-1,2,3-triacetoxypropyl]-L-lyxo-hexonate [ACD/IUPAC Name]
Methyl-(6R)-4,5-di-O-acetyl-2,6-anhydro-3-desoxy-2-(2-oxo-2-phenylethyl)-6-[(1S,2R)-1,2,3-triacetoxypropyl]-L-lyxo-hexonat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 619.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 257.9±31.5 °C
Index of Refraction: 1.528
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.17
ACD/KOC (pH 5.5): 744.41
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.17
ACD/KOC (pH 7.4): 744.41
Polar Surface Area: 184 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 452.9±5.0 cm3

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