ChemSpider 2D Image | [(2S,4S,5R)-4-Hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]methyl dihydrogen phosphate | C6H14NO6P

[(2S,4S,5R)-4-Hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]methyl dihydrogen phosphate

  • Molecular FormulaC6H14NO6P
  • Average mass227.152 Da
  • Monoisotopic mass227.055878 Da
  • ChemSpider ID31104326
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

[(2S,4S,5R)-4-Hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(2S,4S,5R)-4-Hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
2,5-Pyrrolidinedimethanol, 3-hydroxy-, 5-(dihydrogen phosphate), (2R,3S,5S)- [ACD/Index Name]
Dihydrogénophosphate de [(2S,4S,5R)-4-hydroxy-5-(hydroxyméthyl)-2-pyrrolidinyl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 508.7±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.7±6.0 kJ/mol
Flash Point: 261.5±30.9 °C
Index of Refraction: 1.539
Molar Refractivity: 46.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -3.37
ACD/LogD (pH 5.5): -5.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 73.7±3.0 dyne/cm
Molar Volume: 146.9±3.0 cm3

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