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ChemSpider 2D Image | [2-(1-Amino-2-Hydroxy-Propyl)-4-(4-Fluoro-1h-Indol-3-Ylmethyl)-5-Hydroxy-Imidazol-1-Yl]-Acetic Acid | C17H19FN4O4

[2-(1-Amino-2-Hydroxy-Propyl)-4-(4-Fluoro-1h-Indol-3-Ylmethyl)-5-Hydroxy-Imidazol-1-Yl]-Acetic Acid

  • Molecular FormulaC17H19FN4O4
  • Average mass362.356 Da
  • Monoisotopic mass362.139038 Da
  • ChemSpider ID16743786

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Date of deprecation: 14:51, May 21, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

[2-(1-Amino-2-Hydroxy-Propyl)-4-(4-Fluoro-1h-Indol-3-Ylmethyl)-5-Hydroxy-Imidazol-1-Yl]-Acetic Acid
{2-[(1R,2S)-1-Amino-2-hydroxypropyl]-4-[(4-fluor-1H-indol-3-yl)methyl]-5-hydroxy-1H-imidazol-1-yl}essigsäure [German] [ACD/IUPAC Name]
{2-[(1R,2S)-1-Amino-2-hydroxypropyl]-4-[(4-fluoro-1H-indol-3-yl)methyl]-5-hydroxy-1H-imidazol-1-yl}acetic acid [ACD/IUPAC Name]
1H-Imidazole-1-acetic acid, 2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-[(4-fluoro-1H-indol-3-yl)methyl]-5-hydroxy- [ACD/Index Name]
Acide {2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-[(4-fluoro-1H-indol-3-yl)méthyl]-5-hydroxy-1H-imidazol-1-yl}acétique [French] [ACD/IUPAC Name]
3ON

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

Density: 1.6±0.1 g/cm3
Boiling Point: 740.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 401.4±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 88.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -1.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 228.8±7.0 cm3

Click to predict properties on the Chemicalize site


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