ChemSpider 2D Image | LL-dityrosine | C18H20N2O6

LL-dityrosine

  • Molecular FormulaC18H20N2O6
  • Average mass360.361 Da
  • Monoisotopic mass360.132141 Da
  • ChemSpider ID21865767

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,2'S)-3,3'-(6,6'-Dihydroxy-3,3'-biphenyldiyl)bis(2-aminopropanoic acid) [ACD/IUPAC Name]
(2S,2'S)-3,3'-(6,6'-Dihydroxy-3,3'-biphenyldiyl)bis(2-aminopropansäure) [German] [ACD/IUPAC Name]
(2S,2'S)-3,3'-(6,6'-dihydroxybiphenyl-3,3'-diyl)bis(2-aminopropanoic acid)
3,3'-di-L-tyrosine
Acide (2S,2'S)-3,3'-(6,6'-dihydroxy-3,3'-biphényldiyl)bis(2-aminopropanoïque) [French] [ACD/IUPAC Name]
L,L-dityrosine
LL-dityrosine
(2S,2'S)-3,3'-(6,6'-dihydroxybiphenyl-3,3'-diyl)bis(2-aminopropanoic acid) (non-preferred name)
4912450 [Beilstein]
63442-81-9 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 622.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 330.5±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -2.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 79.7±3.0 dyne/cm
Molar Volume: 247.6±3.0 cm3

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