ChemSpider 2D Image | 7-{[(1R)-1-Carboxylato-4-{[(1R)-1-carboxylato-4-{[2-(4-{[5-(formamidomethyl)-3-furyl]methoxy}phenyl)ethyl]amino}-4-oxobutyl]amino}-4-oxobutyl]amino}-7-oxo-1,3,4-heptanetricarboxylate | C35H39N4O16

7-{[(1R)-1-Carboxylato-4-{[(1R)-1-carboxylato-4-{[2-(4-{[5-(formamidomethyl)-3-furyl]methoxy}phenyl)ethyl]amino}-4-oxobutyl]amino}-4-oxobutyl]amino}-7-oxo-1,3,4-heptanetricarboxylate

  • Molecular FormulaC35H39N4O16
  • Average mass771.704 Da
  • Monoisotopic mass771.238831 Da
  • ChemSpider ID7822167

  • Charge - Charge

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

7-{[(1R)-1-Carboxylato-4-{[(1R)-1-carboxylato-4-{[2-(4-{[5-(formamidomethyl)-3-furyl]methoxy}phenyl)ethyl]amino}-4-oxobutyl]amino}-4-oxobutyl]amino}-7-oxo-1,3,4-heptanetricarboxylate [ACD/IUPAC Name]
7-{[(1R)-1-Carboxylato-4-{[(1R)-1-carboxylato-4-{[2-(4-{[5-(formamidométhyl)-3-furyl]méthoxy}phényl)éthyl]amino}-4-oxobutyl]amino}-4-oxobutyl]amino}-7-oxo-1,3,4-heptanetricarboxylate [French] [ACD/IUPAC Name]
7-{[(1R)-1-Carboxylato-4-{[(1R)-1-carboxylato-4-{[2-(4-{[5-(formamidomethyl)-3-furyl]methoxy}phenyl)ethyl]amino}-4-oxobutyl]amino}-4-oxobutyl]amino}-7-oxo-1,3,4-heptantricarboxylat [German] [ACD/IUPAC Name]
D-Glutamine, N-(4,5,7-tricarboxy-1-oxoheptyl)-D-γ-glutamyl-N-[2-[4-[[5-[(formylamino)methyl]-3-furanyl]methoxy]phenyl]ethyl]-, ion(5-) [ACD/Index Name]
Formylmethanofuran [Wiki]

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

c0338 [DBID]

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

Density:
Boiling Point: 1197.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 186.0±3.0 kJ/mol
Flash Point: 677.9±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -7.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 339 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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