ChemSpider 2D Image | (2S)-2-Amino-6-{[(3R,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino}hexanoic acid | C12H24N2O7

(2S)-2-Amino-6-{[(3R,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino}hexanoic acid

  • Molecular FormulaC12H24N2O7
  • Average mass308.328 Da
  • Monoisotopic mass308.158356 Da
  • ChemSpider ID26332225

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-2-Amino-6-{[(3R,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino}hexanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-6-{[(3R,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino}hexansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-6-{[(3R,4R,5R)-3,4,5,6-tétrahydroxy-2-oxohexyl]amino}hexanoïque [French] [ACD/IUPAC Name]
D-Psicose, 1-[[(5S)-5-amino-5-carboxypentyl]amino]-1-deoxy- [ACD/Index Name]
N(6)-[(3R,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]-L-lysine
psicoselysine
psicose-lysine
psicosyllysine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 654.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±6.0 kJ/mol
Flash Point: 349.6±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 72.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: -1.60
ACD/LogD (pH 5.5): -5.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 222.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement