ChemSpider 2D Image | Tabimorelin | C32H40N4O3

Tabimorelin

  • Molecular FormulaC32H40N4O3
  • Average mass528.685 Da
  • Monoisotopic mass528.310059 Da
  • ChemSpider ID7985857
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(R)-a-[(E)-5-Amino-N,5-dimethyl-2-hexenamido]-N-methyl-N-[(R)-a-(methylcarbamoyl)phenethyl]-2-naphthalenepropionamide
D-Phenylalaninamide, N-[(2E)-5-amino-5-methyl-1-oxo-2-hexen-1-yl]-N-methyl-3-(2-naphthalenyl)-D-alanyl-N,Nα-dimethyl- [ACD/Index Name]
N-[(2E)-5-Amino-5-methyl-2-hexenoyl]-N-methyl-3-(2-naphthyl)-D-alanyl-N,Nα-dimethyl-D-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(2E)-5-Amino-5-methyl-2-hexenoyl]-N-methyl-3-(2-naphthyl)-D-alanyl-N,Nα-dimethyl-D-phenylalaninamide [ACD/IUPAC Name]
N-[(2E)-5-Amino-5-méthyl-2-hexenoyl]-N-méthyl-3-(2-naphtyl)-D-alanyl-N,Nα-diméthyl-D-phénylalaninamide [French] [ACD/IUPAC Name]
N-[(2E)-5-amino-5-methylhex-2-enoyl]-N-methyl-3-(naphthalen-2-yl)-D-alanyl-N,Nα-dimethyl-D-phenylalaninamide
Tabimorelin [Wiki]
(E)-5-Amino-5-methyl-hex-2-enoic acid methyl-{(R)-1-[methyl-((R)-1-methylcarbamoyl-2-phenyl-ethyl)-carbamoyl]-2-naphthalen-2-yl-ethyl}-amide
(E)-5-amino-N,5-dimethyl-N-((R)-1-(methyl((R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl)amino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)hex-2-enamide
193079-69-5 [RN]
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  • Miscellaneous

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 794.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 434.2±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 157.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.81
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 2.95
ACD/KOC (pH 7.4): 20.69
Polar Surface Area: 96 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 460.9±3.0 cm3

Click to predict properties on the Chemicalize site


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