ChemSpider 2D Image | Raffinose | C18H32O16

Raffinose

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


More details:



Featured data source



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

Raffinose [Wiki]
(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydro-2-furanyl]oxy}-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-3,4,5-triol
208-146-9 [EINECS]
512-69-6 [RN]
b-D-Fructofuranosyl-O-a-D-galactopyranosyl-(1®6)-a-D-glucopyranoside
D-(+)-Raffinose
Gossypose
Melitose
MELITRIOSE
Raffinose (8CI)
More...

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]

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





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