ChemSpider 2D Image | (1E)-4-Amino-1,5,5-trihydroxy-1,4-pentadien-1-yl dihydrogen phosphate | C5H10NO7P

(1E)-4-Amino-1,5,5-trihydroxy-1,4-pentadien-1-yl dihydrogen phosphate

  • Molecular FormulaC5H10NO7P
  • Average mass227.109 Da
  • Monoisotopic mass227.019485 Da
  • ChemSpider ID95697850

More details:

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

(1E)-4-Amino-1,5,5-trihydroxy-1,4-pentadien-1-yl dihydrogen phosphate [ACD/IUPAC Name]
(1E)-4-Amino-1,5,5-trihydroxy-1,4-pentadien-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
1,4-Pentadiene-1,1,5,5-tetrol, 2-amino-, 5-(dihydrogen phosphate), (4E)- [ACD/Index Name]
Dihydrogénophosphate de (1E)-4-amino-1,5,5-trihydroxy-1,4-pentadién-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 717.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.2±6.0 kJ/mol
Flash Point: 388.0±35.7 °C
Index of Refraction: 1.671
Molar Refractivity: 44.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.52
ACD/LogD (pH 5.5): -5.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 124.0±3.0 dyne/cm
Molar Volume: 119.4±3.0 cm3

Click to predict properties on the Chemicalize site


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