ChemSpider 2D Image | Sakakin | C13H18O7

Sakakin

  • Molecular FormulaC13H18O7
  • Average mass286.278 Da
  • Monoisotopic mass286.105255 Da
  • ChemSpider ID22913150

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-2-(3-hydroxy-5-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
21082-33-7 [RN]
3-Hydroxy-5-methylphenyl β-D-glucopyranoside [ACD/IUPAC Name]
3-Hydroxy-5-methylphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
MFCD06794970 [MDL number]
Sakakin
β-D-Glucopyranoside de 3-hydroxy-5-méthylphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3-hydroxy-5-methylphenyl [ACD/Index Name]
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol
(2S,3R,4S,5S,6R)-2-(3-hydroxy-5-methylphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 570.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 298.9±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 68.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.61
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.53
Polar Surface Area: 120 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 191.2±3.0 cm3

Click to predict properties on the Chemicalize site


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