ChemSpider 2D Image | N-Acetyl-1-[(2R)-5-hydroxy-2-pentyltetrahydro-3-furanyl]-L-histidine | C17H27N3O5

N-Acetyl-1-[(2R)-5-hydroxy-2-pentyltetrahydro-3-furanyl]-L-histidine

  • Molecular FormulaC17H27N3O5
  • Average mass353.413 Da
  • Monoisotopic mass353.195068 Da
  • ChemSpider ID26331449

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

L-Histidine, N-acetyl-1-[(2R)-tetrahydro-5-hydroxy-2-pentyl-3-furanyl]- [ACD/Index Name]
N-Acetyl-1-[(2R)-5-hydroxy-2-pentyltetrahydro-3-furanyl]-L-histidin [German] [ACD/IUPAC Name]
N-Acetyl-1-[(2R)-5-hydroxy-2-pentyltetrahydro-3-furanyl]-L-histidine [ACD/IUPAC Name]
N-Acétyl-1-[(2R)-5-hydroxy-2-pentyltétrahydro-3-furanyl]-L-histidine [French] [ACD/IUPAC Name]
N-acetyl-1-[(2R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-L-histidine
(R)-HNE-histidine
(R)-HNE-L-histidine
R-HNE-histidine
  • Miscellaneous

    • Chemical Class:

      An <stereo>L</stereo>-histidine derivative that is an adduct formed between the histidine molecule and (2<stereo>E</stereo>,4<stereo>R</stereo>)-4-hydroxynon-2-enal. ChEBI CHEBI:58973
      An L-histidine derivative that is an adduct formed between the histidine molecule and (2E,4R)-4-hydroxynon-2-enal. ChEBI CHEBI:58973

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

Density: 1.3±0.1 g/cm3
Boiling Point: 675.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 362.5±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 90.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 263.3±7.0 cm3

Click to predict properties on the Chemicalize site


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