ChemSpider 2D Image | 7-(3-{[(2-Amino-2-carboxyethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)heptanoic acid | C13H26NO10P

7-(3-{[(2-Amino-2-carboxyethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)heptanoic acid

  • Molecular FormulaC13H26NO10P
  • Average mass387.320 Da
  • Monoisotopic mass387.129425 Da
  • ChemSpider ID64884744

More details:

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

7-(3-{[(2-Amino-2-carboxyethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)heptanoic acid [ACD/IUPAC Name]
7-(3-{[(2-Amino-2-carboxyethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)heptansäure [German] [ACD/IUPAC Name]
Acide 7-(3-{[(2-amino-2-carboxyéthoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)heptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 7-[3-[[(2-amino-2-carboxyethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropoxy]- [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: 655.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.5±6.0 kJ/mol
Flash Point: 350.2±34.3 °C
Index of Refraction: 1.523
Molar Refractivity: 84.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -5.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 275.1±3.0 cm3

Click to predict properties on the Chemicalize site


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