ChemSpider 2D Image | (4xi)-1,6-Di-O-phosphono-alpha-D-erythro-hex-2-ulofuranose | C6H14O12P2

(4ξ)-1,6-Di-O-phosphono-α-D-erythro-hex-2-ulofuranose

  • Molecular FormulaC6H14O12P2
  • Average mass340.116 Da
  • Monoisotopic mass339.996063 Da
  • ChemSpider ID58783134

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4ξ)-1,6-Di-O-phosphono-α-D-erythro-hex-2-ulofuranose [German] [ACD/IUPAC Name]
(4ξ)-1,6-Di-O-phosphono-α-D-erythro-hex-2-ulofuranose [ACD/IUPAC Name]
(4ξ)-1,6-Di-O-phosphono-α-D-érythro-hex-2-ulofuranose [French] [ACD/IUPAC Name]
α-D-erythro-2-Hexulofuranose, 1,6-bis(dihydrogen phosphate), (4ξ)- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 722.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 390.8±35.7 °C
Index of Refraction: 1.626
Molar Refractivity: 57.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -5.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 130.3±3.0 dyne/cm
Molar Volume: 162.3±3.0 cm3

Click to predict properties on the Chemicalize site


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