ChemSpider 2D Image | 4-Hydroxy-2-(hydroxymethyl)-1H-indol-3-yl dihydrogen phosphate | C9H10NO6P

4-Hydroxy-2-(hydroxymethyl)-1H-indol-3-yl dihydrogen phosphate

  • Molecular FormulaC9H10NO6P
  • Average mass259.153 Da
  • Monoisotopic mass259.024567 Da
  • ChemSpider ID91078076

More details:

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

1H-Indole-3,4-diol, 2-(hydroxymethyl)-, 3-(dihydrogen phosphate) [ACD/Index Name]
4-Hydroxy-2-(hydroxymethyl)-1H-indol-3-yl dihydrogen phosphate [ACD/IUPAC Name]
4-Hydroxy-2-(hydroxymethyl)-1H-indol-3-yldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 4-hydroxy-2-(hydroxyméthyl)-1H-indol-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 681.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 365.7±34.3 °C
Index of Refraction: 1.776
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.81
ACD/LogD (pH 5.5): -4.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 115.7±3.0 dyne/cm
Molar Volume: 140.8±3.0 cm3

Click to predict properties on the Chemicalize site


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