ChemSpider 2D Image | N-[(2S)-1-{[(2S)-2-Amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino}-3-(5-hydroxy-1H-indol-3-yl)-1-oxo-2-propanyl]hexanamide | C28H33N5O5

N-[(2S)-1-{[(2S)-2-Amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino}-3-(5-hydroxy-1H-indol-3-yl)-1-oxo-2-propanyl]hexanamide

  • Molecular FormulaC28H33N5O5
  • Average mass519.592 Da
  • Monoisotopic mass519.248169 Da
  • ChemSpider ID128993

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole-3-propanamide, α-amino-5-hydroxy-N-[(2S)-3-(5-hydroxy-1H-indol-3-yl)-1-oxo-2-[(1-oxohexyl)amino]propyl]-, (αS)- [ACD/Index Name]
N-[(2S)-1-{[(2S)-2-Amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino}-3-(5-hydroxy-1H-indol-3-yl)-1-oxo-2-propanyl]hexanamid [German] [ACD/IUPAC Name]
N-[(2S)-1-{[(2S)-2-Amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino}-3-(5-hydroxy-1H-indol-3-yl)-1-oxo-2-propanyl]hexanamide [ACD/IUPAC Name]
N-[(2S)-1-{[(2S)-2-Amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino}-3-(5-hydroxy-1H-indol-3-yl)-1-oxo-2-propanyl]hexanamide [French] [ACD/IUPAC Name]
5-Htp-DP-hex
90829-99-5 [RN]
N-[(2S)-1-[(2S)-2-AMINO-3-(5-HYDROXY-1H-INDOL-3-YL)PROPANAMIDO]-3-(5-HYDROXY-1H-INDOL-3-YL)-1-OXOPROPAN-2-YL]HEXANAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 927.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.6±3.0 kJ/mol
Flash Point: 514.9±34.3 °C
Index of Refraction: 1.685
Molar Refractivity: 145.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 2.40
ACD/KOC (pH 5.5): 36.70
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.60
ACD/KOC (pH 7.4): 253.89
Polar Surface Area: 173 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 383.2±3.0 cm3

Click to predict properties on the Chemicalize site


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