ChemSpider 2D Image | (2R,3R,4R,5S,6R,2'S,3'S,4'S,5'R,6'R)-2,2'-Oxybis[6-(hydroxymethyl)-2,3,4,5,6-pentamethyltetrahydro-2H-pyran-3,4,5-triol] (non-preferred name) | C22H42O11

(2R,3R,4R,5S,6R,2'S,3'S,4'S,5'R,6'R)-2,2'-Oxybis[6-(hydroxymethyl)-2,3,4,5,6-pentamethyltetrahydro-2H-pyran-3,4,5-triol] (non-preferred name)

  • Molecular FormulaC22H42O11
  • Average mass482.562 Da
  • Monoisotopic mass482.272705 Da
  • ChemSpider ID62540047

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R,3R,4R,5S,6R,2'S,3'S,4'S,5'R,6'R)-2,2'-Oxybis[6-(hydroxymethyl)-2,3,4,5,6-pentamethyltetrahydro-2H-pyran-3,4,5-triol] (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3R,4R,5S,6R,2'S,3'S,4'S,5'R,6'R)-2,2'-Oxybis[6-(hydroxymethyl)-2,3,4,5,6-pentamethyltetrahydro-2H-pyran-3,4,5-triol] (non-preferred name) [ACD/IUPAC Name]
(2R,3R,4R,5S,6R,2'S,3'S,4'S,5'R,6'R)-2,2'-Oxybis[6-(hydroxyméthyl)-2,3,4,5,6-pentaméthyltétrahydro-2H-pyrane-3,4,5-triol] (non-preferred 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: 605.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.2±6.0 kJ/mol
Flash Point: 319.7±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.44
ACD/KOC (pH 5.5): 592.31
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.44
ACD/KOC (pH 7.4): 592.30
Polar Surface Area: 190 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 353.1±5.0 cm3

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