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Search term: KBKIHHNRHOTMRE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-Hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethyl-1-hepten-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide | C27H50N4O5

N-Hexanoyl-L-valyl-N1-[(3S,4S)-3-hydroxy-2,6-dimethyl-1-hepten-4-yl]-N5,N5-dimethyl-L-glutamamide

  • Molecular FormulaC27H50N4O5
  • Average mass510.710 Da
  • Monoisotopic mass510.378113 Da
  • ChemSpider ID35034182

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Glutamamide, N-(1-oxohexyl)-L-valyl-N1-[(1S,2S)-2-hydroxy-3-methyl-1-(2-methylpropyl)-3-buten-1-yl]-N5,N5-dimethyl- [ACD/Index Name]
N-Hexanoyl-L-valyl-N1-[(3S,4S)-3-hydroxy-2,6-dimethyl-1-hepten-4-yl]-N5,N5-dimethyl-L-glutamamid [German] [ACD/IUPAC Name]
N-Hexanoyl-L-valyl-N1-[(3S,4S)-3-hydroxy-2,6-dimethyl-1-hepten-4-yl]-N5,N5-dimethyl-L-glutamamide [ACD/IUPAC Name]
N-Hexanoyl-L-valyl-N1-[(3S,4S)-3-hydroxy-2,6-diméthyl-1-heptén-4-yl]-N5,N5-diméthyl-L-glutamamide [French] [ACD/IUPAC Name]
N-Hexanoyl-L-Valyl-N1-[(3s,4s)-3-Hydroxy-2,6-Dimethylhept-1-En-4-Yl]-N5,N5-Dimethyl-L-Glutamamide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 766.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.2±6.0 kJ/mol
Flash Point: 417.1±32.9 °C
Index of Refraction: 1.493
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.56
ACD/KOC (pH 5.5): 1217.92
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.56
ACD/KOC (pH 7.4): 1217.91
Polar Surface Area: 128 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 491.1±3.0 cm3

Click to predict properties on the Chemicalize site


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