ChemSpider 2D Image | 1-O-Phosphono-beta-D-xylopyranose | C5H11O8P

1-O-Phosphono-β-D-xylopyranose

  • Molecular FormulaC5H11O8P
  • Average mass230.110 Da
  • Monoisotopic mass230.019150 Da
  • ChemSpider ID23219285
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1-O-Phosphono-β-D-xylopyranose [ACD/IUPAC Name]
1-O-Phosphono-β-D-xylopyranose [German] [ACD/IUPAC Name]
1-O-Phosphono-β-D-xylopyranose [French] [ACD/IUPAC Name]
β-D-Xylopyranose, 1-(dihydrogen phosphate) [ACD/Index Name]
113159-15-2 [RN]
25799-81-9 [RN]
A-D-XYLOSE 1-PHOSPHATE*DI(MONOCYCLOHEXYLAMMONIUM)
Phosphoric acid mono-(3,4,5-trihydroxy-tetrahydro-pyran-2-yl) ester
β-d-xylose 1-phosphate

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

Density: 1.9±0.1 g/cm3
Boiling Point: 541.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 281.4±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 41.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -5.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 104.0±5.0 dyne/cm
Molar Volume: 122.0±5.0 cm3

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