Found 1 result

Search term: IKLUIZJWBLJHAQ-HAAQQRBASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | S-[2-({N-[(2S)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-9-hexadecenethioate | C27H51N2O8PS

S-[2-({N-[(2S)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)ethyl] (9Z)-9-hexadecenethioate

  • Molecular FormulaC27H51N2O8PS
  • Average mass594.741 Da
  • Monoisotopic mass594.310364 Da
  • ChemSpider ID59051954

  • 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

(9Z)-9-Hexadécènethioate de S-[2-({N-[(2S)-2-hydroxy-3,3-diméthyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)éthyle] [French] [ACD/IUPAC Name]
9-Hexadecenethioic acid, S-[2-[[3-[[(2S)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]amino]-1-oxopropyl]amino]ethyl] ester, (9Z)- [ACD/Index Name]
S-[2-({N-[(2S)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)ethyl] (9Z)-9-hexadecenethioate [ACD/IUPAC Name]
S-[2-({N-[(2S)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)ethyl]-(9Z)-9-hexadecenthioat [German] [ACD/IUPAC Name]
S-[2-({n-[(2s)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy)butanoyl]-β-Alanyl}amino)ethyl] (9z)-Hexadec-9-Enethioate
S-[2-({n-[(2s)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy)butanoyl]-β-Alanyl}amino)ethyl] (9z)-Octadec-9-Enethioate
ZMO
ZMQ

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.517
Molar Refractivity: 155.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 4
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.49
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 514.2±3.0 cm3

Click to predict properties on the Chemicalize site


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