ChemSpider 2D Image | (2R,3R,4S,5S,6R)-6-(Hydroxymethyl)-3,4,5,6-tetramethyl-5-{[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2,3,4,5,6-pentamethyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2,3,4-triol (non-pr eferred name) | C21H40O11

(2R,3R,4S,5S,6R)-6-(Hydroxymethyl)-3,4,5,6-tetramethyl-5-{[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2,3,4,5,6-pentamethyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2,3,4-triol (non-pr eferred name)

  • Molecular FormulaC21H40O11
  • Average mass468.536 Da
  • Monoisotopic mass468.257050 Da
  • ChemSpider ID62365131

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R,3R,4S,5S,6R)-6-(Hydroxymethyl)-3,4,5,6-tetramethyl-5-{[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2,3,4,5,6-pentamethyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2,3,4-triol (non-pr eferred name) [German] [ACD/IUPAC Name]
(2R,3R,4S,5S,6R)-6-(Hydroxymethyl)-3,4,5,6-tetramethyl-5-{[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2,3,4,5,6-pentamethyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2,3,4-triol (non-pr eferred name) [ACD/IUPAC Name]
(2R,3R,4S,5S,6R)-6-(Hydroxyméthyl)-3,4,5,6-tétraméthyl-5-{[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)-2,3,4,5,6-pentaméthyltétrahydro-2H-pyran-2-yl]oxy}tétrahydro-2H-pyrane-2,3,4-triol (non-p referred name) [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 601.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.6±6.0 kJ/mol
Flash Point: 317.3±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.18
ACD/KOC (pH 5.5): 96.93
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.18
ACD/KOC (pH 7.4): 96.93
Polar Surface Area: 190 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 337.2±5.0 cm3

Click to predict properties on the Chemicalize site


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