ChemSpider 2D Image | (2R,3R,4R,5R,6R)-6-{[(2R,3S)-2-(Acetoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate | C21H28O13

(2R,3R,4R,5R,6R)-6-{[(2R,3S)-2-(Acetoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate

  • Molecular FormulaC21H28O13
  • Average mass488.439 Da
  • Monoisotopic mass488.152985 Da
  • ChemSpider ID28410317

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,3R,4R,5R,6R)-6-{[(2R,3S)-2-(Acetoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate [ACD/IUPAC Name]
(2R,3R,4R,5R,6R)-6-{[(2R,3S)-2-(Acetoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-2,3,4,5-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
Tetraacétate de (2R,3R,4R,5R,6R)-6-{[(2R,3S)-2-(acétoxyméthyl)-3,6-dihydro-2H-pyran-3-yl]oxy}tétrahydro-2H-pyrane-2,3,4,5-tétrayle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 541.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 231.5±30.2 °C
Index of Refraction: 1.509
Molar Refractivity: 109.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.20
ACD/KOC (pH 5.5): 128.45
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.20
ACD/KOC (pH 7.4): 128.45
Polar Surface Area: 159 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 366.4±5.0 cm3

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