ChemSpider 2D Image | (5S,13S)-3,8,14-Trioxo-13-(L-tyrosylamino)-1,4,9-triazacyclotetradecane-5-carboxamide | C21H30N6O6

(5S,13S)-3,8,14-Trioxo-13-(L-tyrosylamino)-1,4,9-triazacyclotetradecane-5-carboxamide

  • Molecular FormulaC21H30N6O6
  • Average mass462.500 Da
  • Monoisotopic mass462.222687 Da
  • ChemSpider ID30810862

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S,13S)-3,8,14-Trioxo-13-(L-tyrosylamino)-1,4,9-triazacyclotetradecan-5-carboxamid [German] [ACD/IUPAC Name]
(5S,13S)-3,8,14-Trioxo-13-(L-tyrosylamino)-1,4,9-triazacyclotetradecane-5-carboxamide [ACD/IUPAC Name]
(5S,13S)-3,8,14-Trioxo-13-(L-tyrosylamino)-1,4,9-triazacyclotétradécane-5-carboxamide [French] [ACD/IUPAC Name]
1,4,9-Triazacyclotetradecane-5-carboxamide, 13-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3,8,14-trioxo-, (5S,13S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1046.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.3±3.0 kJ/mol
Flash Point: 586.4±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 118.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.46
ACD/LogD (pH 5.5): -4.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 336.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement