ChemSpider 2D Image | LTF4 | C28H44N2O8S

LTF4

  • Molecular FormulaC28H44N2O8S
  • Average mass568.723 Da
  • Monoisotopic mass568.281860 Da
  • ChemSpider ID4444440
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

83851-42-7 [RN]
L-Cysteine, L-γ-glutamyl-S-[(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]-2,4,6,9-pentadecatetraen-1-yl]- [ACD/Index Name]
Leukotriene F4
LTF4
L-γ-Glutamyl-S-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]-L-cystein [German] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]-L-cysteine [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxy-6,8,10,13-nonadécatétraén-5-yl]-L-cystéine [French] [ACD/IUPAC Name]
L-γ-glutamyl-S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteine
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-2-carboxyethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C06462 [DBID]
  • Miscellaneous
    • Chemical Class:

      A leukotriene composed of (7<stereo>E</stereo>,9<stereo>E</stereo>,11<stereo>Z</stereo>,14<stereo>Z</stereo>)-icosa-7,9,11,14-tetraenoic acid having (5<stereo>S</stereo>)-hydroxy and (6<stereo>R</ster eo>)-(<stereo>L</stereo>-<locant>gamma</locant>-glutamyl-<stereo>L</stereo>-cystein-<element>S</element>-yl) substituents. ChEBI CHEBI:27491
      A leukotriene composed of (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid having (5S)-hydroxy and (6R)-(L-gamma-glutamyl-L-cystein-S-yl) substituents. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27491, CHEBI:27491

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

Density: 1.2±0.1 g/cm3
Boiling Point: 872.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.1±6.0 kJ/mol
Flash Point: 481.6±34.3 °C
Index of Refraction: 1.563
Molar Refractivity: 153.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 4.54
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 471.7±3.0 cm3

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