ChemSpider 2D Image | [(3S)-4-{[3-({2-[(9Z)-9-Hexadecenoylsulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy](oxo)phosphoniumolate | C27H49N2O7PS

[(3S)-4-{[3-({2-[(9Z)-9-Hexadecenoylsulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy](oxo)phosphoniumolate

  • Molecular FormulaC27H49N2O7PS
  • Average mass576.726 Da
  • Monoisotopic mass576.299805 Da
  • ChemSpider ID25058667
  • 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

[(3S)-4-{[3-({2-[(9Z)-9-Hexadecenoylsulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy](oxo)phosphoniumolat [German] [ACD/IUPAC Name]
[(3S)-4-{[3-({2-[(9Z)-9-Hexadecenoylsulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy](oxo)phosphoniumolate [ACD/IUPAC Name]
[(3S)-4-{[3-({2-[(9Z)-9-Hexadecenoylsulfanyl]éthyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-diméthyl-4-oxobutoxy](oxo)phosphoniumolate [French] [ACD/IUPAC Name]
{[(3S)-4-{[3-({2-[(9Z)-hexadec-9-enoylsulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl]oxy}(oxo)phosphoniumolate
Phosphorus(1+), [(9Z)-9-hexadecenethioato, S-[2-[[3-[[(2S)-2-hydroxy-4-(hydroxy-κO)-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester, inner salt]hydroxyoxo-, inner salt [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 26
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 170 Å2
Polarizability:
Surface Tension:
Molar Volume:

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