Found 17 results

Search term: C39H72NO9P (Found by molecular formula)
ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-11-(3-pentyl-2-oxiranyl)-9-undecenoyl]oxy}propyl (9Z)-9-hexadecenoate | C39H72NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-11-(3-pentyl-2-oxiranyl)-9-undecenoyl]oxy}propyl (9Z)-9-hexadecenoate

  • Molecular FormulaC39H72NO9P
  • Average mass729.964 Da
  • Monoisotopic mass729.494446 Da
  • ChemSpider ID117217443

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-11-(3-pentyl-2-oxiranyl)-9-undecenoyl]oxy}propyl (9Z)-9-hexadecenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-11-(3-pentyl-2-oxiranyl)-9-undecenoyl]oxy}propyl-(9Z)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Hexadécénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-11-(3-pentyl-2-oxiranyl)-9-undecenoyl]oxy}propyle [French] [ACD/IUPAC Name]
9-Hexadecenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-11-(3-pentyloxiranyl)-9-undecen-1-yl]oxy]propyl ester, (9Z)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 756.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 119.9±6.0 kJ/mol
Flash Point: 411.4±35.7 °C
Index of Refraction: 1.490
Molar Refractivity: 201.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 11.93
ACD/LogD (pH 5.5): 7.11
ACD/BCF (pH 5.5): 37329.32
ACD/KOC (pH 5.5): 12686.66
ACD/LogD (pH 7.4): 7.01
ACD/BCF (pH 7.4): 30073.78
ACD/KOC (pH 7.4): 10220.81
Polar Surface Area: 157 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 696.8±3.0 cm3

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