ChemSpider 2D Image | (1R,2S,3S,4R,5R,6R)-1-[(2R,3R,4S,5R,6R)-2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-2-[(2S,3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-1,2,3,4,5,6- cyclohexanehexol (non-preferred name) | C18H32O18

(1R,2S,3S,4R,5R,6R)-1-[(2R,3R,4S,5R,6R)-2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-2-[(2S,3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-1,2,3,4,5,6- cyclohexanehexol (non-preferred name)

  • Molecular FormulaC18H32O18
  • Average mass536.436 Da
  • Monoisotopic mass536.158875 Da
  • ChemSpider ID66738664

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(1R,2S,3S,4R,5R,6R)-1-[(2R,3R,4S,5R,6R)-2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-2-[(2S,3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-1,2,3,4,5,6- cyclohexanehexol (non-preferred name) [ACD/IUPAC Name]
(1R,2S,3S,4R,5R,6R)-1-[(2R,3R,4S,5R,6R)-2,3,4,5-Tétrahydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]-2-[(2S,3R,4S,5R,6R)-2,3,4,5-tétrahydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]-1,2,3,4,5,6- cyclohexanehexol (non-preferred name) [French] [ACD/IUPAC Name]
(1R,2S,3S,4R,5R,6R)-1-[(2R,3R,4S,5R,6R)-2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-2-[(2S,3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-1,2,3,4,5,6- cyclohexanhexol (non-preferred name) [German] [ACD/IUPAC Name]
di-galactosyl myo-inositol

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

Density: 2.3±0.1 g/cm3
Boiling Point: 814.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.7±6.0 kJ/mol
Flash Point: 446.1±34.3 °C
Index of Refraction: 1.865
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 18
#H bond donors: 16
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -10.73
ACD/LogD (pH 5.5): -9.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 342 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 168.9±3.0 dyne/cm
Molar Volume: 237.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement