ChemSpider 2D Image | Raffinose | C18H32O16


  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID388379
  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

Raffinose [Wiki]
208-146-9 [EINECS]
512-69-6 [RN]

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

AI3-19427 [DBID]
AIDS014662 [DBID]
AIDS-014662 [DBID]
bmse000221 [DBID]
C00492 [DBID]
CHEBI:16634 [DBID]
NSC 170228 [DBID]
NSC 2025 [DBID]
NSC170228 [DBID]
NSC2025 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A trisaccharide composed of <stereo>alpha</stereo>-<stereo>D</stereo>-galactopyranose, <stereo>alpha</stereo>-<stereo>D</stereo>-glucopyranose and <stereo>beta</stereo>-<stereo>D</stereo>-fructofurano se joined in sequence by 1<arrow>right</arrow>6 and 1<arrow>leftright</arrow>2 glycosidic linkages, respectively. ChEBI CHEBI:16634
      A trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofurano; se joined in sequence by 1right6 and 1leftright2 glycosidic linkages, respectively. ChEBI

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 884.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.1±6.0 kJ/mol
Flash Point: 488.9±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.50
ACD/LogD (pH 5.5): -3.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 120.8±5.0 dyne/cm
Molar Volume: 277.9±5.0 cm3

Click to predict properties on the Chemicalize site