ChemSpider 2D Image | [(2R,3R,4S)-3,4-Dihydroxy-2-pyrrolidinyl]methyl dihydrogen phosphate | C5H12NO6P

[(2R,3R,4S)-3,4-Dihydroxy-2-pyrrolidinyl]methyl dihydrogen phosphate

  • Molecular FormulaC5H12NO6P
  • Average mass213.126 Da
  • Monoisotopic mass213.040222 Da
  • ChemSpider ID24207570

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2R,3R,4S)-3,4-Dihydroxy-2-pyrrolidinyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(2R,3R,4S)-3,4-Dihydroxy-2-pyrrolidinyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
3,4-Pyrrolidinediol, 2-[(phosphonooxy)methyl]-, (2R,3R,4S)- [ACD/Index Name]
Dihydrogénophosphate de [(2R,3R,4S)-3,4-dihydroxy-2-pyrrolidinyl]méthyle [French] [ACD/IUPAC Name]
((2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl)methyl dihydrogen phosphate
208658-24-6 [RN]
3,4-Pyrrolidinediol, 2-[(phosphonooxy)methyl]-, (2R,3R,4S)- (9CI)

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

Density: 1.7±0.1 g/cm3
Boiling Point: 490.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 250.3±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 41.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.64
ACD/LogD (pH 5.5): -5.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 81.1±3.0 dyne/cm
Molar Volume: 125.3±3.0 cm3

Click to predict properties on the Chemicalize site


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