ChemSpider 2D Image | (1E)-1,5,5-Trihydroxy-4-imino-1-penten-1-yl dihydrogen phosphate | C5H10NO7P

(1E)-1,5,5-Trihydroxy-4-imino-1-penten-1-yl dihydrogen phosphate

  • Molecular FormulaC5H10NO7P
  • Average mass227.109 Da
  • Monoisotopic mass227.019485 Da
  • ChemSpider ID95712512

More details:

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

(1E)-1,5,5-Trihydroxy-4-imino-1-penten-1-yl dihydrogen phosphate [ACD/IUPAC Name]
(1E)-1,5,5-Trihydroxy-4-imino-1-penten-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
1-Pentene-1,1,5,5-tetrol, 4-imino-, 1-(dihydrogen phosphate), (1E)- [ACD/Index Name]
Dihydrogénophosphate de (1E)-1,5,5-trihydroxy-4-imino-1-pentén-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: 628.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.5±6.0 kJ/mol
Flash Point: 333.7±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 40.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.18
ACD/LogD (pH 5.5): -5.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 98.8±7.0 dyne/cm
Molar Volume: 120.5±7.0 cm3

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