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Search term: UKEQFCMFQPDELJ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2S)-3-(Phosphonooxy)-2-(stearoylamino)propyl butyrate | C25H50NO7P

(2S)-3-(Phosphonooxy)-2-(stearoylamino)propyl butyrate

  • Molecular FormulaC25H50NO7P
  • Average mass507.641 Da
  • Monoisotopic mass507.332489 Da
  • ChemSpider ID8848563
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-3-(Phosphonooxy)-2-(stearoylamino)propyl butyrate [ACD/IUPAC Name]
(2S)-3-(Phosphonooxy)-2-(stearoylamino)propylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, (2S)-2-[(1-oxooctadecyl)amino]-3-(phosphonooxy)propyl ester [ACD/Index Name]
Butyrate de (2S)-3-(phosphonooxy)-2-(stearoylamino)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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.478
Molar Refractivity: 134.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 43.75
ACD/KOC (pH 5.5): 58.13
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 5.09
ACD/KOC (pH 7.4): 6.76
Polar Surface Area: 132 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 476.5±3.0 cm3

Click to predict properties on the Chemicalize site






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