ChemSpider 2D Image | 2-[(2-{2-[3-(Hydroxymethyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-4-pentenoyl)amino]-3-(2-naphthylamino)-3-oxopropyl 5-hexenoate | C36H41N3O6

2-[(2-{2-[3-(Hydroxymethyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-4-pentenoyl)amino]-3-(2-naphthylamino)-3-oxopropyl 5-hexenoate

  • Molecular FormulaC36H41N3O6
  • Average mass611.727 Da
  • Monoisotopic mass611.299561 Da
  • ChemSpider ID3402862

More details:

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

2-[(2-{2-[3-(Hydroxymethyl)-3,4-dihydro-2(1H)-isochinolinyl]-2-oxoethyl}-4-pentenoyl)amino]-3-(2-naphthylamino)-3-oxopropyl-5-hexenoat [German] [ACD/IUPAC Name]
2-[(2-{2-[3-(Hydroxymethyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-4-pentenoyl)amino]-3-(2-naphthylamino)-3-oxopropyl 5-hexenoate [ACD/IUPAC Name]
5-Hexénoate de 2-[(2-{2-[3-(hydroxyméthyl)-3,4-dihydro-2(1H)-isoquinoléinyl]-2-oxoéthyl}-4-pentenoyl)amino]-3-(2-naphtylamino)-3-oxopropyle [French] [ACD/IUPAC Name]
5-Hexenoic acid, 2-[[2-[2-[3,4-dihydro-3-(hydroxymethyl)-2(1H)-isoquinolinyl]-2-oxoethyl]-1-oxo-4-penten-1-yl]amino]-3-(2-naphthalenylamino)-3-oxopropyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 898.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.8±3.0 kJ/mol
Flash Point: 496.9±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 174.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5686.25
ACD/KOC (pH 5.5): 16954.96
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5686.23
ACD/KOC (pH 7.4): 16954.86
Polar Surface Area: 125 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 503.7±3.0 cm3

Click to predict properties on the Chemicalize site


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