ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E)-9-undecen-1-yloxy]propyl propionate | C19H38NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E)-9-undecen-1-yloxy]propyl propionate

  • Molecular FormulaC19H38NO7P
  • Average mass423.481 Da
  • Monoisotopic mass423.238586 Da
  • ChemSpider ID61712454

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E)-9-undecen-1-yloxy]propyl propionate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E)-9-undecen-1-yloxy]propylpropionat [German] [ACD/IUPAC Name]
(2R)-3-{[(S)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E)-9-undecen-1-yloxy]propyl propionate [ACD/IUPAC Name]
(2R)-3-{[(S)-(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E)-9-undecen-1-yloxy]propylpropionat [German] [ACD/IUPAC Name]
Phosphoric acid, 2-aminoethyl (2R)-3-(1-oxopropoxy)-2-[(9E)-9-undecen-1-yloxy]propyl ester [ACD/Index Name]
Phosphoric acid, 2-aminoethyl (2R)-3-(1-oxopropoxy)-2-[(9E)-9-undecen-1-yloxy]propyl ester, (S)- [ACD/Index Name]
Propionate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(9E)-9-undécén-1-yloxy]propyle [French] [ACD/IUPAC Name]
Propionate de (2R)-3-{[(S)-(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(9E)-9-undécén-1-yloxy]propyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 525.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 87.5±6.0 kJ/mol
Flash Point: 271.6±32.9 °C
Index of Refraction: 1.480
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.26
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.45
Polar Surface Area: 127 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 384.1±3.0 cm3

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