ChemSpider 2D Image | S-malonyl-4'-phosphopantetheine | C14H25N2O10PS

S-malonyl-4'-phosphopantetheine

  • Molecular FormulaC14H25N2O10PS
  • Average mass444.395 Da
  • Monoisotopic mass444.096741 Da
  • ChemSpider ID26328035
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-{[2-({N-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid [ACD/IUPAC Name]
3-{[2-({N-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)ethyl]sulfanyl}-3-oxopropansäure [German] [ACD/IUPAC Name]
Acide 3-{[2-({N-[(2R)-2-hydroxy-3,3-diméthyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)éthyl]sulfanyl}-3-oxopropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[2-[[3-[[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]amino]-1-oxopropyl]amino]ethyl]thio]-3-oxo- [ACD/Index Name]
S-malonyl-4'-phosphopantetheine
malonyl-4'-phosphopantetheine
Malonyl-coenzyme A
malonylphosphopantetheine
MLC
S-malonyl-D-phosphopantetheine 4'-phosphate
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 one of the carboxy groups of malon ic acid. ChEBI CHEBI:132976
      An S-acyl-4'-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with one of the carboxy groups of malon; ic acid. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132976
      An S-acyl-4'-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with one of the carboxy groups of malonic acid. ChEBI CHEBI:132976

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.558
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: -2.12
ACD/LogD (pH 5.5): -6.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 235 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 69.2±3.0 dyne/cm
Molar Volume: 300.7±3.0 cm3

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