ChemSpider 2D Image | (2S)-6-Amino-2-[4-(2-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-1-(4-{4-(4-morpholinyl)-6-[(2-{2-[2-(2-propyn-1-yloxy)ethoxy]ethoxy}ethyl)amino]-1,3,5-triazin-2-yl}-1-piperazinyl)-1-hexanone | C31H51N11O6

(2S)-6-Amino-2-[4-(2-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-1-(4-{4-(4-morpholinyl)-6-[(2-{2-[2-(2-propyn-1-yloxy)ethoxy]ethoxy}ethyl)amino]-1,3,5-triazin-2-yl}-1-piperazinyl)-1-hexanone

  • Molecular FormulaC31H51N11O6
  • Average mass673.807 Da
  • Monoisotopic mass673.402405 Da
  • ChemSpider ID7828796

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-6-Amino-2-[4-(2-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-1-(4-{4-(4-morpholinyl)-6-[(2-{2-[2-(2-propin-1-yloxy)ethoxy]ethoxy}ethyl)amino]-1,3,5-triazin-2-yl}-1-piperazinyl)-1-hexanon [German] [ACD/IUPAC Name]
(2S)-6-Amino-2-[4-(2-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-1-(4-{4-(4-morpholinyl)-6-[(2-{2-[2-(2-propyn-1-yloxy)ethoxy]ethoxy}ethyl)amino]-1,3,5-triazin-2-yl}-1-piperazinyl)-1-hexanone [ACD/IUPAC Name]
(2S)-6-Amino-2-[4-(2-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-1-(4-{4-(4-morpholinyl)-6-[(2-{2-[2-(2-propyn-1-yloxy)éthoxy]éthoxy}éthyl)amino]-1,3,5-triazin-2-yl}-1-pipérazinyl)-1-hexanone [French] [ACD/IUPAC Name]
1-Hexanone, 6-amino-2-[4-(2-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-1-[4-[4-(4-morpholinyl)-6-[[2-[2-[2-(2-propyn-1-yloxy)ethoxy]ethoxy]ethyl]amino]-1,3,5-triazin-2-yl]-1-piperazinyl]-, (2S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 880.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.1±3.0 kJ/mol
Flash Point: 486.3±37.1 °C
Index of Refraction: 1.626
Molar Refractivity: 178.2±0.5 cm3
#H bond acceptors: 17
#H bond donors: 4
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: -2.06
ACD/LogD (pH 5.5): -4.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 503.2±7.0 cm3

Click to predict properties on the Chemicalize site


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