ChemSpider 2D Image | (2R,3R)-4-{[(1S)-1-Carboxyethyl]amino}-2,3-dihydroxy-4-oxobutanoic acid | C7H11NO7

(2R,3R)-4-{[(1S)-1-Carboxyethyl]amino}-2,3-dihydroxy-4-oxobutanoic acid

  • Molecular FormulaC7H11NO7
  • Average mass221.165 Da
  • Monoisotopic mass221.053558 Da
  • ChemSpider ID120952216

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R)-4-{[(1S)-1-Carboxyethyl]amino}-2,3-dihydroxy-4-oxobutanoic acid [ACD/IUPAC Name]
(2R,3R)-4-{[(1S)-1-Carboxyethyl]amino}-2,3-dihydroxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2R,3R)-4-{[(1S)-1-carboxyéthyl]amino}-2,3-dihydroxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(1S)-1-carboxyethyl]amino]-2,3-dihydroxy-4-oxo-, (2R,3R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 679.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 364.6±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 44.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -5.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 86.4±3.0 dyne/cm
Molar Volume: 135.4±3.0 cm3

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