ChemSpider 2D Image | 2,5-Anhydro-1,3,4-trideoxy-1-{[4-(dihydroxyboryl)-2-fluorobenzyl]amino}-D-erythro-hexitol | C13H19BFNO4

2,5-Anhydro-1,3,4-trideoxy-1-{[4-(dihydroxyboryl)-2-fluorobenzyl]amino}-D-erythro-hexitol

  • Molecular FormulaC13H19BFNO4
  • Average mass283.104 Da
  • Monoisotopic mass283.139130 Da
  • ChemSpider ID72980455

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,5-Anhydro-1,3,4-trideoxy-1-{[4-(dihydroxyboryl)-2-fluorobenzyl]amino}-D-erythro-hexitol [ACD/IUPAC Name]
2,5-Anhydro-1,3,4-tridesoxy-1-{[4-(dihydroxyboryl)-2-fluorbenzyl]amino}-D-erythro-hexitol [German] [ACD/IUPAC Name]
2,5-Anhydro-1,3,4-tridésoxy-1-{[4-(dihydroxyboryl)-2-fluorobenzyl]amino}-D-érythro-hexitol [French] [ACD/IUPAC Name]
D-erythro-Hexitol, 2,5-anhydro-1-[[(4-borono-2-fluorophenyl)methyl]amino]-1,3,4-trideoxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 476.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 242.1±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 70.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.86
Polar Surface Area: 82 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 220.0±5.0 cm3

Click to predict properties on the Chemicalize site


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