ChemSpider 2D Image | N-[(3S)-3-{[(3S)-3-Amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamato | C13H23N3O8

N-[(3S)-3-{[(3S)-3-Amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamato

  • Molecular FormulaC13H23N3O8
  • Average mass349.337 Da
  • Monoisotopic mass349.148529 Da
  • ChemSpider ID25057592
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Acide N-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[(3S)-3-[[(3S)-3-amino-3-carboxypropyl]amino]-3-carboxypropyl]- [ACD/Index Name]
N-[(3S)-3-{[(3S)-3-Amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamato [ACD/IUPAC Name]
N-[(3s)-3-{[(3s)-3-Amino-3-Carboxypropyl]amino}-3-Carboxypropyl]-L-Glutamic Acid
N-[(3S)-3-{[(3S)-3-Amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutaminsäure [German] [ACD/IUPAC Name]
tna

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

Density: 1.4±0.1 g/cm3
Boiling Point: 705.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 380.5±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 79.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -5.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 73.1±3.0 dyne/cm
Molar Volume: 244.1±3.0 cm3

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