ChemSpider 2D Image | 3,3-Dihydroxy-2-iminopropyl 2-{[(1E)-1-hydroxy-1-buten-1-yl]oxy}-3-{[(1E)-1-hydroxy-1-propen-1-yl]oxy}propyl hydrogen phosphate | C13H24NO10P

3,3-Dihydroxy-2-iminopropyl 2-{[(1E)-1-hydroxy-1-buten-1-yl]oxy}-3-{[(1E)-1-hydroxy-1-propen-1-yl]oxy}propyl hydrogen phosphate

  • Molecular FormulaC13H24NO10P
  • Average mass385.304 Da
  • Monoisotopic mass385.113770 Da
  • ChemSpider ID95618700

More details:

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

3,3-Dihydroxy-2-iminopropyl 2-{[(1E)-1-hydroxy-1-buten-1-yl]oxy}-3-{[(1E)-1-hydroxy-1-propen-1-yl]oxy}propyl hydrogen phosphate [ACD/IUPAC Name]
3,3-Dihydroxy-2-iminopropyl-2-{[(1E)-1-hydroxy-1-buten-1-yl]oxy}-3-{[(1E)-1-hydroxy-1-propen-1-yl]oxy}propylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de 3,3-dihydroxy-2-iminopropyle et de 2-{[(1E)-1-hydroxy-1-butén-1-yl]oxy}-3-{[(1E)-1-hydroxy-1-propén-1-yl]oxy}propyle [French] [ACD/IUPAC Name]
Phosphoric acid, 3,3-dihydroxy-2-iminopropyl 2-[[(1E)-1-hydroxy-1-buten-1-yl]oxy]-3-[[(1E)-1-hydroxy-1-propen-1-yl]oxy]propyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 618.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.1±6.0 kJ/mol
Flash Point: 327.6±34.3 °C
Index of Refraction: 1.523
Molar Refractivity: 81.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -3.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 267.0±7.0 cm3

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