ChemSpider 2D Image | N,N'-diformyldityrosine | C20H20N2O8

N,N'-diformyldityrosine

  • Molecular FormulaC20H20N2O8
  • Average mass416.381 Da
  • Monoisotopic mass416.121979 Da
  • ChemSpider ID21865768

More details:

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

3,3'-(6,6'-Dihydroxy-3,3'-biphenyldiyl)bis(2-formamidopropanoic acid) [ACD/IUPAC Name]
3,3'-(6,6'-Dihydroxy-3,3'-biphenyldiyl)bis(2-formamidopropansäure) [German] [ACD/IUPAC Name]
Acide 3,3'-(6,6'-dihydroxy-3,3'-biphényldiyl)bis(2-formamidopropanoïque) [French] [ACD/IUPAC Name]
N,N'-diformyldityrosine
3,3'-(6,6'-dihydroxybiphenyl-3,3'-diyl)bis[2-(formylamino)propanoic acid]
3,3'-(6,6'-dihydroxybiphenyl-3,3'-diyl)bis[2-(formylamino)propanoic acid] (non-preferred name)
3-{3-[5-(2-carboxy-2-formamidoethyl)-2-hydroxyphenyl]-4-hydroxyphenyl}-2-formamidopropanoic acid
N,N'-bisformyl dityrosine

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 834.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.0±3.0 kJ/mol
Flash Point: 458.2±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 102.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -4.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 73.2±3.0 dyne/cm
Molar Volume: 285.5±3.0 cm3

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