ChemSpider 2D Image | (2S)-2-({[(3S,4S,5R)-2,3,4-Trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)propanoic acid (non-preferred name) | C9H17NO7

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

  • Molecular FormulaC9H17NO7
  • Average mass251.234 Da
  • Monoisotopic mass251.100494 Da
  • ChemSpider ID35014626

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2S)-2-({[(3S,4S,5R)-2,3,4-Trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)propanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-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)-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-carboxyethyl]amino]-1-deoxy- [ACD/Index Name]
(2S)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid
1-[(1-Carboxyethyl)amino]-1-deoxyfructose, 9CI
16124-24-6 [RN]
1-Deoxyalaninofructose
N-(1-Deoxy-1-fructosyl)alanine

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: 1.5±0.1 g/cm3
Boiling Point: 517.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.8±6.0 kJ/mol
Flash Point: 266.5±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -4.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 77.6±3.0 dyne/cm
Molar Volume: 162.1±3.0 cm3

Click to predict properties on the Chemicalize site


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