ChemSpider 2D Image | (2S)-4-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)pentanoic acid (non-preferred name) | C12H23NO7

(2S)-4-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)pentanoic acid (non-preferred name)

  • Molecular FormulaC12H23NO7
  • Average mass293.314 Da
  • Monoisotopic mass293.147461 Da
  • ChemSpider ID35014478

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2S)-4-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)pentanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-4-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)pentansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-4-méthyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]méthyl}amino)pentanoïque (non-preferred name) [French] [ACD/IUPAC Name]
D-Fructofuranose, 1-[[(1S)-1-carboxy-3-methylbutyl]amino]-1-deoxy- [ACD/Index Name]
(2S)-4-methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)pentanoic acid
1-[(1-Carboxy-3-methylbutyl)amino]-1-deoxyfructose, 9CI
34393-18-5 [RN]
N-(1-Deoxy-1-fructosyl)leucine

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 520.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.3±6.0 kJ/mol
Flash Point: 268.7±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.68
ACD/LogD (pH 5.5): -3.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 212.0±3.0 cm3

Click to predict properties on the Chemicalize site


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