ChemSpider 2D Image | (5S)-5-[(1S)-1,2-Dihydroxyethyl]-4-hydroxy-2-oxo-2,5-dihydro-3-furanyl dihydrogen phosphate (non-preferred name) | C6H9O9P

(5S)-5-[(1S)-1,2-Dihydroxyethyl]-4-hydroxy-2-oxo-2,5-dihydro-3-furanyl dihydrogen phosphate (non-preferred name)

  • Molecular FormulaC6H9O9P
  • Average mass256.104 Da
  • Monoisotopic mass255.998413 Da
  • ChemSpider ID57643482

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-5-[(1S)-1,2-Dihydroxyethyl]-4-hydroxy-2-oxo-2,5-dihydro-3-furanyl dihydrogen phosphate (non-preferred name) [ACD/IUPAC Name]
(5S)-5-[(1S)-1,2-Dihydroxyethyl]-4-hydroxy-2-oxo-2,5-dihydro-3-furanyldihydrogenphosphat (non-preferred name) [German] [ACD/IUPAC Name]
Dihydrogénophosphate de (5S)-5-[(1S)-1,2-dihydroxyéthyl]-4-hydroxy-2-oxo-2,5-dihydro-3-furanyle (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: 682.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.6±6.0 kJ/mol
Flash Point: 366.7±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 45.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -3.94
ACD/LogD (pH 5.5): -8.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 117.7±5.0 dyne/cm
Molar Volume: 127.2±5.0 cm3

Click to predict properties on the Chemicalize site


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