ChemSpider 2D Image | Rotigaptide | C28H39N7O9

Rotigaptide

  • Molecular FormulaC28H39N7O9
  • Average mass617.651 Da
  • Monoisotopic mass617.280945 Da
  • ChemSpider ID8114558
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

355151-12-1 [RN]
Glycinamide, N-acetyl-D-tyrosyl-D-prolyl-(4S)-4-hydroxy-D-prolylglycyl-D-alanyl- [ACD/Index Name]
N-Acetyl-D-tyrosyl-D-prolyl-(4S)-4-hydroxy-D-prolylglycyl-D-alanylglycinamid [German] [ACD/IUPAC Name]
N-Acetyl-D-tyrosyl-D-prolyl-(4S)-4-hydroxy-D-prolylglycyl-D-alanylglycinamide [ACD/IUPAC Name]
N-Acétyl-D-tyrosyl-D-prolyl-(4S)-4-hydroxy-D-prolylglycyl-D-alanylglycinamide [French] [ACD/IUPAC Name]
Rotigaptide

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

GAP-486 [DBID]
ZP-123 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1187.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 184.2±3.0 kJ/mol
Flash Point: 671.8±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 152.6±0.3 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.53
ACD/LogD (pH 5.5): -3.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 241 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 70.2±3.0 dyne/cm
Molar Volume: 442.2±3.0 cm3

Click to predict properties on the Chemicalize site


Feedback Form