ChemSpider 2D Image | (2S)-2,3-Dihydroxy-3-(1H-indol-3-yl)propyl dihydrogen phosphate | C11H14NO6P

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

  • Molecular FormulaC11H14NO6P
  • Average mass287.206 Da
  • Monoisotopic mass287.055878 Da
  • ChemSpider ID57457897

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

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

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

Density: 1.7±0.1 g/cm3
Boiling Point: 657.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 351.3±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 67.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -4.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 96.6±3.0 dyne/cm
Molar Volume: 172.9±3.0 cm3

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