ChemSpider 2D Image | (2S,3S)-2,3-Dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate | C6H11N2O6P

(2S,3S)-2,3-Dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate

  • Molecular FormulaC6H11N2O6P
  • Average mass238.135 Da
  • Monoisotopic mass238.035477 Da
  • ChemSpider ID35033874

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2,3-Dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate [ACD/IUPAC Name]
(2S,3S)-2,3-Dihydroxy-3-(1H-imidazol-5-yl)propyldihydrogenphosphat [German] [ACD/IUPAC Name]
1,2,3-Propanetriol, 1-(1H-imidazol-5-yl)-, 3-(dihydrogen phosphate), (1S,2S)- [ACD/Index Name]
Dihydrogénophosphate de (2S,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyle [French] [ACD/IUPAC Name]
IG2

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

Density: 1.8±0.1 g/cm3
Boiling Point: 708.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.4±35.7 °C
Index of Refraction: 1.642
Molar Refractivity: 47.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -3.32
ACD/LogD (pH 5.5): -5.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 115.0±3.0 dyne/cm
Molar Volume: 132.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement