ChemSpider 2D Image | (3S,4S,5R,6S)-3,4,5,6-Tetrahydroxytetrahydro-2H-pyran-2-yl dihydrogen phosphate (non-preferred name) | C5H11O9P

(3S,4S,5R,6S)-3,4,5,6-Tetrahydroxytetrahydro-2H-pyran-2-yl dihydrogen phosphate (non-preferred name)

  • Molecular FormulaC5H11O9P
  • Average mass246.109 Da
  • Monoisotopic mass246.014069 Da
  • ChemSpider ID114547195

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3S,4S,5R,6S)-3,4,5,6-Tetrahydroxytetrahydro-2H-pyran-2-yl dihydrogen phosphate (non-preferred name) [ACD/IUPAC Name]
(3S,4S,5R,6S)-3,4,5,6-Tetrahydroxytetrahydro-2H-pyran-2-yldihydrogenphosphat (non-preferred name) [German] [ACD/IUPAC Name]
Dihydrogénophosphate de (3S,4S,5R,6S)-3,4,5,6-tétrahydroxytétrahydro-2H-pyran-2-yle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 572.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.6±6.0 kJ/mol
Flash Point: 300.2±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 42.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.21
ACD/LogD (pH 5.5): -5.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 128.6±5.0 dyne/cm
Molar Volume: 120.1±5.0 cm3

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