ChemSpider 2D Image | N-(4,5,7-Tricarboxyheptanoyl)-D-gamma-glutamyl-N-[2-(4-{[5-(aminomethyl)-3-furyl]methoxy}phenyl)ethyl]-D-glutamine | C34H44N4O15

N-(4,5,7-Tricarboxyheptanoyl)-D-γ-glutamyl-N-[2-(4-{[5-(aminomethyl)-3-furyl]methoxy}phenyl)ethyl]-D-glutamine

  • Molecular FormulaC34H44N4O15
  • Average mass748.731 Da
  • Monoisotopic mass748.280334 Da
  • ChemSpider ID388460

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

D-Glutamine, N-(4,5,7-tricarboxy-1-oxoheptyl)-D-γ-glutamyl-N-[2-[4-[[5-(aminomethyl)-3-furanyl]methoxy]phenyl]ethyl]- [ACD/Index Name]
N-(4,5,7-Tricarboxyheptanoyl)-D-γ-glutamyl-N-[2-(4-{[5-(aminomethyl)-3-furyl]methoxy}phenyl)ethyl]-D-glutamin [German] [ACD/IUPAC Name]
N-(4,5,7-Tricarboxyheptanoyl)-D-γ-glutamyl-N-[2-(4-{[5-(aminomethyl)-3-furyl]methoxy}phenyl)ethyl]-D-glutamine [ACD/IUPAC Name]
N-(4,5,7-Tricarboxyheptanoyl)-D-γ-glutamyl-N-[2-(4-{[5-(aminométhyl)-3-furyl]méthoxy}phényl)éthyl]-D-glutamine [French] [ACD/IUPAC Name]
1-(2-{[(1R)-3-{[(1R)-3-{[2-(4-{[5-(AMINOMETHYL)FURAN-3-YL]METHOXY}PHENYL)ETHYL]CARBAMOYL}-1-CARBOXYPROPYL]CARBAMOYL}-1-CARBOXYPROPYL]CARBAMOYL}ETHYL)BUTANE-1,2,4-TRICARBOXYLIC ACID
89873-36-9 [RN]
Methanofuran [Wiki]

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

C00862 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1126.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 173.8±3.0 kJ/mol
Flash Point: 635.1±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 178.9±0.3 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: -1.96
ACD/LogD (pH 5.5): -6.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 322 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 532.3±3.0 cm3

Click to predict properties on the Chemicalize site


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