ChemSpider 2D Image | Ibritumomab | C24H35N5O11

Ibritumomab

  • Molecular FormulaC24H35N5O11
  • Average mass569.562 Da
  • Monoisotopic mass569.233337 Da
  • ChemSpider ID57269045
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

Ibritumomab
N-[(2S)-2-[Bis(carboxymethyl)amino]-3-(4-{[hydroxy(methylimino)methyl]amino}phenyl)propyl]-N-{2-[bis(carboxymethyl)amino]propyl}glycin [German] [ACD/IUPAC Name]
N-[(2S)-2-[Bis(carboxymethyl)amino]-3-(4-{[hydroxy(methylimino)methyl]amino}phenyl)propyl]-N-{2-[bis(carboxymethyl)amino]propyl}glycine [ACD/IUPAC Name]
N-[(2S)-2-[Bis(carboxyméthyl)amino]-3-(4-{[hydroxy(méthylimino)méthyl]amino}phényl)propyl]-N-{2-[bis(carboxyméthyl)amino]propyl}glycine [French] [ACD/IUPAC Name]
206181-63-7 [RN]
IBRITUMOMAB TIUXETAN

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

Density: 1.4±0.1 g/cm3
Boiling Point: 876.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 484.2±37.1 °C
Index of Refraction: 1.604
Molar Refractivity: 137.6±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 1.76
ACD/LogD (pH 5.5): -5.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 241 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 399.9±7.0 cm3

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