ChemSpider 2D Image | N-(4-Hydroxy-9,10-dioxo-9,10-dihydro-1-anthracenyl)glycyl-L-histidyl-L-lysine | C28H30N6O7

N-(4-Hydroxy-9,10-dioxo-9,10-dihydro-1-anthracenyl)glycyl-L-histidyl-L-lysine

  • Molecular FormulaC28H30N6O7
  • Average mass562.574 Da
  • Monoisotopic mass562.217590 Da
  • ChemSpider ID116225

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Lysine, N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)glycyl-L-histidyl- [ACD/Index Name]
N-(4-Hydroxy-9,10-dioxo-9,10-dihydro-1-anthracenyl)glycyl-L-histidyl-L-lysin [German] [ACD/IUPAC Name]
N-(4-Hydroxy-9,10-dioxo-9,10-dihydro-1-anthracenyl)glycyl-L-histidyl-L-lysine [ACD/IUPAC Name]
N-(4-Hydroxy-9,10-dioxo-9,10-dihydro-1-anthracényl)glycyl-L-histidyl-L-lysine [French] [ACD/IUPAC Name]
(2S)-6-AMINO-2-[(2S)-2-{2-[(4-HYDROXY-9,10-DIOXOANTHRACEN-1-YL)AMINO]ACETAMIDO}-3-(3H-IMIDAZOL-4-YL)PROPANAMIDO]HEXANOIC ACID
132391-60-7 [RN]
1-Hydroxy-4-(glycyl-histidyl-lysine)anthraquinone
4-(Glycyl-histidyl-lysine)-1-hydroxyanthraquinone
L-Lysine, N2-(N-(N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)glycyl)-L-histidyl)-
N(2)-(N-(N-(9,10-Dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)glycyl)-L-histidyl)-L-lysine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1070.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.4±3.0 kJ/mol
Flash Point: 601.2±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 145.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 217 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 83.0±3.0 dyne/cm
Molar Volume: 385.2±3.0 cm3

Click to predict properties on the Chemicalize site


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