ChemSpider 2D Image | beta-D-Glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-2-deoxy-2-fluoro-alpha-D-glucopyranose | C18H31FO15

β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-2-deoxy-2-fluoro-α-D-glucopyranose

  • Molecular FormulaC18H31FO15
  • Average mass506.428 Da
  • Monoisotopic mass506.164703 Da
  • ChemSpider ID393446

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

α-D-Glucopyranose, O-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->4)-2-deoxy-2-fluoro- [ACD/Index Name]
β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-2-deoxy-2-fluoro-α-D-glucopyranose [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-2-désoxy-2-fluoro-α-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-2-desoxy-2-fluor-α-D-glucopyranose [German] [ACD/IUPAC Name]
1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE
DEOXY-2-FLUORO-B-D-CELLOTRIOSIDE
Deoxy-2-fluoro-β-D-cellotrioside
FCT

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

DXA [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 867.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.2±6.0 kJ/mol
Flash Point: 331.9±30.8 °C
Index of Refraction: 1.640
Molar Refractivity: 103.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.85
ACD/LogD (pH 5.5): -3.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 248 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 103.4±5.0 dyne/cm
Molar Volume: 286.3±5.0 cm3

Click to predict properties on the Chemicalize site


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