Found 1 result

Search term: MF = 'C_{34}H_{40}N_{4}O_{15}'
ChemSpider 2D Image | (3R,4S)-7-{[(1S)-4-{[(1S)-4-{[2-(4-{[5-(Ammoniomethyl)-3-furyl]methoxy}phenyl)ethyl]amino}-1-carboxylato-4-oxobutyl]amino}-1-carboxylato-4-oxobutyl]amino}-7-oxo-1,3,4-heptanetricarboxylate | C34H40N4O15

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

  • Molecular FormulaC34H40N4O15
  • Average mass744.701 Da
  • Monoisotopic mass744.251221 Da
  • ChemSpider ID26331052

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,4S)-7-{[(1S)-4-{[(1S)-4-{[2-(4-{[5-(Ammoniomethyl)-3-furyl]methoxy}phenyl)ethyl]amino}-1-carboxylato-4-oxobutyl]amino}-1-carboxylato-4-oxobutyl]amino}-7-oxo-1,3,4-heptanetricarboxylate [ACD/IUPAC Name]
(3R,4S)-7-{[(1S)-4-{[(1S)-4-{[2-(4-{[5-(Ammoniométhyl)-3-furyl]méthoxy}phényl)éthyl]amino}-1-carboxylato-4-oxobutyl]amino}-1-carboxylato-4-oxobutyl]amino}-7-oxo-1,3,4-heptanetricarboxylate [French] [ACD/IUPAC Name]
(3R,4S)-7-{[(1S)-4-{[(1S)-4-{[2-(4-{[5-(Ammoniomethyl)-3-furyl]methoxy}phenyl)ethyl]amino}-1-carboxylato-4-oxobutyl]amino}-1-carboxylato-4-oxobutyl]amino}-7-oxo-1,3,4-heptantricarboxylat [German] [ACD/IUPAC Name]
L-Glutamine, N-[(4S,5R)-4,5,7-tricarboxy-1-oxoheptyl]-L-γ-glutamyl-N-[2-[4-[[5-(aminomethyl)-3-furanyl]methoxy]phenyl]ethyl]-, inner salt, ion(4-) [ACD/Index Name]
Methanofuran [Wiki]
methanofuranate tetraanion
methanofuranate(4-)
  • Miscellaneous

    • Chemical Class:

      Tetraanion of methanofuran arising from deprotonation of all five carboxy groups and protonation of the amino group; major species at pH 7.3. ChEBI CHEBI:58151

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

Density:
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:
Molar Refractivity:
#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: 338 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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