ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[8-(tetracyclo[6.4.0.0~2,7~.0~3,6~]dodec-10-yl)octyl]oxy}propyl myristate | C39H72NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[8-(tetracyclo[6.4.0.02,7.03,6]dodec-10-yl)octyl]oxy}propyl myristate

  • Molecular FormulaC39H72NO7P
  • Average mass697.965 Da
  • Monoisotopic mass697.504639 Da
  • ChemSpider ID24823087

  • defined stereocentres - 1 of 8 defined stereocentres

More details:

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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[8-(tetracyclo[6.4.0.02,7.03,6]dodec-10-yl)octyl]oxy}propyl myristate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[8-(tetracyclo[6.4.0.02,7.03,6]dodec-10-yl)octyl]oxy}propylmyristat [German] [ACD/IUPAC Name]
Myristate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-{[8-(tétracyclo[6.4.0.02,7.03,6]dodéc-10-yl)octyl]oxy}propyle [French] [ACD/IUPAC Name]
Tetradecanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(8-tetracyclo[6.4.0.02,7.03,6]dodec-10-yloctyl)oxy]propyl ester [ACD/Index Name]
1-tetrahexanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 742.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 402.6±35.7 °C
Index of Refraction: 1.503
Molar Refractivity: 193.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 12.74
ACD/LogD (pH 5.5): 8.72
ACD/BCF (pH 5.5): 624708.88
ACD/KOC (pH 5.5): 95327.66
ACD/LogD (pH 7.4): 8.63
ACD/BCF (pH 7.4): 506243.03
ACD/KOC (pH 7.4): 77250.33
Polar Surface Area: 127 Å2
Polarizability: 76.7±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 654.5±3.0 cm3

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