ChemSpider 2D Image | 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-BETA-D-CELLOBIOSIDE | C18H23FN2O14

2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-β-D-CELLOBIOSIDE

  • Molecular FormulaC18H23FN2O14
  • Average mass510.379 Da
  • Monoisotopic mass510.113342 Da
  • ChemSpider ID393458

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2,4-Dinitrophenyl 2-deoxy-2-fluoro-4-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-β-D-CELLOBIOSIDE
2,4-Dinitrophenyl-2-desoxy-2-fluor-4-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Désoxy-2-fluoro-4-O-β-D-glucopyranosyl-β-D-glucopyranoside de 2,4-dinitrophényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2,4-dinitrophenyl 2-deoxy-2-fluoro-4-O-β-D-glucopyranosyl- [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6S)-6-(2,4-DINITROPHENOXY)-5-FLUORO-4-HYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL
154862-23-4 [RN]
2',4'-Dinitrophenyl-2-deoxy-2-fluorocellobioside
2',4'-Dinitrophenyl-2-deoxy-2-fluoro-β-D-cellobioside
2',4'-DINITROPHENYL-2DEOXY-2-FLURO-B-D-CELLOBIOSIDE

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

Density: 1.8±0.1 g/cm3
Boiling Point: 822.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 451.2±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 106.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.06
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.00
ACD/LogD (pH 7.4): -1.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.00
Polar Surface Area: 250 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 96.7±5.0 dyne/cm
Molar Volume: 290.8±5.0 cm3

Click to predict properties on the Chemicalize site


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