ChemSpider 2D Image | (2R)-2-(2-{[(1R)-1-Carboxy-4-{[(3S)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxysuccinic acid | C17H24N2O14

(2R)-2-(2-{[(1R)-1-Carboxy-4-{[(3S)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxysuccinic acid

  • Molecular FormulaC17H24N2O14
  • Average mass480.378 Da
  • Monoisotopic mass480.122742 Da
  • ChemSpider ID25060105
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R)-2-(2-{[(1R)-1-Carboxy-4-{[(3S)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxybernsteinsäure [German] [ACD/IUPAC Name]
(2R)-2-(2-{[(1R)-1-Carboxy-4-{[(3S)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxysuccinic acid [ACD/IUPAC Name]
Acide (2R)-2-(2-{[(1R)-1-carboxy-4-{[(3S)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoéthyl)-2-hydroxysuccinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[2-[[(1R)-1-carboxy-4-[[(3S)-3,4-dicarboxy-3-hydroxy-1-oxobutyl]amino]butyl]amino]-2-oxoethyl]-2-hydroxy-, (2R)- [ACD/Index Name]
(2r)-2-(2-{[(1r)-1-Carboxy-4-{[(3s)-3,4-Dicarboxy-3-Hydroxybutanoyl]amino}butyl]amino}-2-Oxoethyl)-2-Hydroxybutanedioic Acid
SF8

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 949.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.8±6.0 kJ/mol
Flash Point: 528.0±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: -2.59
ACD/LogD (pH 5.5): -9.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 285 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 95.1±3.0 dyne/cm
Molar Volume: 289.6±3.0 cm3

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