ChemSpider 2D Image | (2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)butanoic acid (non-preferred name) | C10H19NO8

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

  • Molecular FormulaC10H19NO8
  • Average mass281.260 Da
  • Monoisotopic mass281.111053 Da
  • ChemSpider ID35014480

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)butanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)butansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]méthyl}amino)butanoïque (non-preferred name) [French] [ACD/IUPAC Name]
D-Fructofuranose, 1-[[(1S)-1-carboxy-2-hydroxypropyl]amino]-1-deoxy- [ACD/Index Name]
(2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid
(R)-(+)-4-Isopropyl-1-methylcyclohexene
(R)-4-(isopropyl)-1-methylcyclohexene
1-[(1-Carboxy-2-hydroxypropyl)amino]-1-deoxyfructose, 9CI
1-Methyl-4-(1-methylethyl)-(R)-Cyclohexene
70954-04-0 [RN]
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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: 603.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 318.7±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 60.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -4.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 84.5±3.0 dyne/cm
Molar Volume: 176.5±3.0 cm3

Click to predict properties on the Chemicalize site


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