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ChemSpider 2D Image | Melezitose | C18H32O16

Melezitose

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID83787
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(2R,3R,4S,5S,6R,2'R,3'R,4'S,5'S,6'R)-2,2'-{[(2S,3S,4R,5R)-4-Hydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3-diyl]bis(oxy)}bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol]
(2R,3R,4S,5S,6R,2'R,3'R,4'S,5'S,6'R)-2,2'-{[(2S,3S,4R,5R)-4-Hydroxy-2,5-bis(hydroxyméthyl)tétrahydrofurane-2,3-diyl]bis(oxy)}bis[6-(hydroxyméthyl)tétrahydro-2H-pyran-3,4,5-triol]
209-894-9 [EINECS]
597-12-6 [RN]
D-(+)-Melezitose
D-Melezitose
Melezitose [Wiki]
O-a-D-Glucopyranosyl-(1®3)-b-D-fructofuranosyl-a-D-glucopyranoside
T4T25QN29L
α-D-Glucopyranoside de α-D-glucopyranosyl-(1->3)-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
More...

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

AI3-19426 [DBID]
AIDS014663 [DBID]
AIDS-014663 [DBID]
C08243 [DBID]
CHEBI:6731 [DBID]
NSC 2080 [DBID]
NSC2080 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 881.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.6±6.0 kJ/mol
Flash Point: 487.1±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: -5.79
ACD/LogD (pH 5.5): -5.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.57
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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