ChemSpider 2D Image | N(alpha)-formyl-N(epsilon)-fructosyllysine | C13H24N2O8

N(α)-formyl-N(ε)-fructosyllysine

  • Molecular FormulaC13H24N2O8
  • Average mass336.338 Da
  • Monoisotopic mass336.153259 Da
  • ChemSpider ID26331778

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-2-Formamido-6-{[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino}hexanoic acid [ACD/IUPAC Name]
(2S)-2-Formamido-6-{[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino}hexansäure [German] [ACD/IUPAC Name]
23931-59-1 [RN]
Acide (2S)-2-formamido-6-{[(3S,4R,5R)-3,4,5,6-tétrahydroxy-2-oxohexyl]amino}hexanoïque [French] [ACD/IUPAC Name]
D-Fructose, 1-[[(5S)-5-carboxy-5-(formylamino)pentyl]amino]-1-deoxy- [ACD/Index Name]
L-Lysine, N6-(1-deoxy-D-fructos-1-yl)-N2-formyl-
N(α)-formyl-N(ε)-fructosyllysine
N(6)-(1-deoxy-D-fructos-1-yl)-N(2)-formyl-L-lysine
N(α)-Formyl-N(ε)-fructoselysine
N(α)-formyl-N(ε)-fructosyl-L-lysine
More...

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

2396807 [DBID]
  • Miscellaneous

    • Chemical Class:

      A glyco-amino acid consisting of a <stereo>D</stereo>-fructosyl residue attached to the <locant>epsilon</locant>-amino group of <element>N</element><smallsup><locant>alpha</locant></smallsup>-formyl-< stereo>L</stereo>-lysine. ChEBI CHEBI:59986
      A glyco-amino acid consisting of a D-fructosyl residue attached to the epsilon-amino group of N(alpha)-formyl-L-lysine. ChEBI CHEBI:59986
      A glyco-amino acid consisting of a D-fructosyl residue attached to the epsilon-amino group of Nalpha-formyl-L-lysine. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:59986

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

Density: 1.4±0.1 g/cm3
Boiling Point: 758.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.0±6.0 kJ/mol
Flash Point: 412.2±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 77.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -1.54
ACD/LogD (pH 5.5): -4.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 69.7±3.0 dyne/cm
Molar Volume: 241.3±3.0 cm3

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