ChemSpider 2D Image | 3-[(7,7-Dihydroxy-6-hepten-1-yl)oxy]-2-hydroxypropyl 3,3-dihydroxy-2-iminopropyl hydrogen phosphate | C13H26NO10P

3-[(7,7-Dihydroxy-6-hepten-1-yl)oxy]-2-hydroxypropyl 3,3-dihydroxy-2-iminopropyl hydrogen phosphate

  • Molecular FormulaC13H26NO10P
  • Average mass387.320 Da
  • Monoisotopic mass387.129425 Da
  • ChemSpider ID95648057

More details:

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

3-[(7,7-Dihydroxy-6-hepten-1-yl)oxy]-2-hydroxypropyl 3,3-dihydroxy-2-iminopropyl hydrogen phosphate [ACD/IUPAC Name]
3-[(7,7-Dihydroxy-6-hepten-1-yl)oxy]-2-hydroxypropyl-3,3-dihydroxy-2-iminopropylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de 3-[(7,7-dihydroxy-6-heptén-1-yl)oxy]-2-hydroxypropyle et de 3,3-dihydroxy-2-iminopropyle [French] [ACD/IUPAC Name]
Phosphoric acid, 3-[(7,7-dihydroxy-6-hepten-1-yl)oxy]-2-hydroxypropyl 3,3-dihydroxy-2-iminopropyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 717.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.8±6.0 kJ/mol
Flash Point: 387.8±35.7 °C
Index of Refraction: 1.539
Molar Refractivity: 81.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -4.76
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: 200 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 63.6±7.0 dyne/cm
Molar Volume: 259.6±7.0 cm3

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