ChemSpider 2D Image | (2S,5R,6R)-6-(Hydroxymethyl)-2-propyltetrahydro-2H-pyran-2,3,3,4,4,5-hexayl hexaacetate | C21H30O14

(2S,5R,6R)-6-(Hydroxymethyl)-2-propyltetrahydro-2H-pyran-2,3,3,4,4,5-hexayl hexaacetate

  • Molecular FormulaC21H30O14
  • Average mass506.454 Da
  • Monoisotopic mass506.163544 Da
  • ChemSpider ID149224
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2S,5R,6R)-6-(Hydroxymethyl)-2-propyltetrahydro-2H-pyran-2,3,3,4,4,5-hexayl hexaacetate [ACD/IUPAC Name]
(2S,5R,6R)-6-(Hydroxymethyl)-2-propyltetrahydro-2H-pyran-2,3,3,4,4,5-hexayl-hexaacetat [German] [ACD/IUPAC Name]
Hexaacétate de (2S,5R,6R)-6-(hydroxyméthyl)-2-propyltétrahydro-2H-pyrane-2,3,3,4,4,5-hexayle [French] [ACD/IUPAC Name]
2-O-Galactopyranosylglycerol hexaacetate
42794-04-7 [RN]
GPGH
β-D-Glucopyranoside, 2,3-bis(acetyloxy)propyl, tetraacetate, (S)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 545.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 175.0±23.6 °C
Index of Refraction: 1.502
Molar Refractivity: 111.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 255.70
ACD/KOC (pH 5.5): 1841.03
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 255.70
ACD/KOC (pH 7.4): 1841.03
Polar Surface Area: 187 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 378.1±5.0 cm3

Click to predict properties on the Chemicalize site






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