Found 1 result

Search term: OC[C@]1(F)O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2r,3r,4r,5s,6r)-6-Fluoranyl-6-(Hydroxymethyl)oxane-2,3,4,5-Tetrol | C6H11FO6

(2r,3r,4r,5s,6r)-6-Fluoranyl-6-(Hydroxymethyl)oxane-2,3,4,5-Tetrol

  • Molecular FormulaC6H11FO6
  • Average mass198.146 Da
  • Monoisotopic mass198.053970 Da
  • ChemSpider ID59053659

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3R,4R,5S,6R)-6-Fluor-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name) [German] [ACD/IUPAC Name]
(2r,3r,4r,5s,6r)-6-Fluoranyl-6-(Hydroxymethyl)oxane-2,3,4,5-Tetrol
(2R,3R,4R,5S,6R)-6-Fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name) [ACD/IUPAC Name]
(2R,3R,4R,5S,6R)-6-Fluoro-6-(hydroxyméthyl)tétrahydro-2H-pyrane-2,3,4,5-tétrol (non-preferred name) [French] [ACD/IUPAC Name]
B9D

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

Density: 1.8±0.1 g/cm3
Boiling Point: 395.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.7±6.0 kJ/mol
Flash Point: 179.7±24.4 °C
Index of Refraction: 1.581
Molar Refractivity: 37.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.33
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.17
ACD/LogD (pH 7.4): -1.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.17
Polar Surface Area: 110 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 89.0±5.0 dyne/cm
Molar Volume: 111.8±5.0 cm3

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