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Search term: MVHUOSAYFQKAMT-NRFANRHFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | S-dodecanoyl-4'-phosphopantetheine | C23H45N2O8PS

S-dodecanoyl-4'-phosphopantetheine

  • Molecular FormulaC23H45N2O8PS
  • Average mass540.651 Da
  • Monoisotopic mass540.263428 Da
  • ChemSpider ID58170295

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Dodécanethioate de S-[2-({N-[(2R)-2-hydroxy-3,3-diméthyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)éthyle] [French] [ACD/IUPAC Name]
Dodecanethioic acid, S-[2-[[3-[[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]amino]-1-oxopropyl]amino]ethyl] ester [ACD/Index Name]
S-[2-({N-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)ethyl] dodecanethioate [ACD/IUPAC Name]
S-[2-({N-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)ethyl]-dodecanthioat [German] [ACD/IUPAC Name]
S-dodecanoyl-4'-phosphopantetheine
8Q1
dodecanoyl-4'-phosphopantetheine
lauroyl-4-phosphopantetheine
S-dodecanoyl-D-pantetheine 4'-phosphate
S-lauroyl-4-phosphopantetheine
More...
  • Miscellaneous

    • Chemical Class:

      An <element>S</element>-acyl-4<apostrophe/>-phosphopantetheine obtained by formal condensation of the thiol group of <stereo>D</stereo>-pantetheine 4'-phosphate with the carboxy group of dodecanoic ac id. ChEBI CHEBI:132316
      An S-acyl-4'-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with the carboxy group of dodecanoic ac; id. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132316
      An S-acyl-4'-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with the carboxy group of dodecanoic acid. ChEBI CHEBI:132316

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: 1.515
Molar Refractivity: 137.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 3.56
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 454.6±3.0 cm3

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