ChemSpider 2D Image | (3xi)-2-O-Phosphono-beta-D-erythro-hex-2-ulofuranose | C6H13O9P

(3ξ)-2-O-Phosphono-β-D-erythro-hex-2-ulofuranose

  • Molecular FormulaC6H13O9P
  • Average mass260.136 Da
  • Monoisotopic mass260.029724 Da
  • ChemSpider ID57488075

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3ξ)-2-O-Phosphono-β-D-erythro-hex-2-ulofuranose [German] [ACD/IUPAC Name]
(3ξ)-2-O-Phosphono-β-D-erythro-hex-2-ulofuranose [ACD/IUPAC Name]
(3ξ)-2-O-Phosphono-β-D-érythro-hex-2-ulofuranose [French] [ACD/IUPAC Name]
β-D-erythro-2-Hexulofuranose, 2-(dihydrogen phosphate), (3ξ)- [ACD/Index Name]
[(2S,4S,5R)-3,4-DIHYDROXY-2,5-BIS(HYDROXYMETHYL)OXOLAN-2-YL]OXYPHOSPHONIC ACID

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

Density: 1.9±0.1 g/cm3
Boiling Point: 632.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.1±6.0 kJ/mol
Flash Point: 336.1±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 47.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.38
ACD/LogD (pH 5.5): -6.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 115.8±5.0 dyne/cm
Molar Volume: 135.7±5.0 cm3

Click to predict properties on the Chemicalize site


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