ChemSpider 2D Image | (2S)-3-(4-Hydroxyphenyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)propanoic acid (non-preferred name) | C15H21NO8

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

  • Molecular FormulaC15H21NO8
  • Average mass343.329 Da
  • Monoisotopic mass343.126709 Da
  • ChemSpider ID35014482

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2S)-3-(4-Hydroxyphenyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)propanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-3-(4-Hydroxyphenyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)propansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-3-(4-hydroxyphényl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]méthyl}amino)propanoïque (non-preferred name) [French] [ACD/IUPAC Name]
D-Fructofuranose, 1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-deoxy- [ACD/Index Name]
(2S)-3-(4-hydroxyphenyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid
1-[[1-Carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-deoxyfructose, 9CI
34393-22-1 [RN]
N-(1-Deoxy-1-fructosyl)tyrosine

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: 1.6±0.1 g/cm3
Boiling Point: 648.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 345.9±31.5 °C
Index of Refraction: 1.653
Molar Refractivity: 81.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.23
ACD/LogD (pH 5.5): -3.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 83.3±3.0 dyne/cm
Molar Volume: 221.3±3.0 cm3

Click to predict properties on the Chemicalize site


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