ChemSpider 2D Image | (3E)-7,9,11,13,15,17,19,21,23-Nonaoxo-3-octatriaconten-1-yl (2E)-4-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-4-oxo-2-butenoate | C47H65NO14

(3E)-7,9,11,13,15,17,19,21,23-Nonaoxo-3-octatriaconten-1-yl (2E)-4-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-4-oxo-2-butenoate

  • Molecular FormulaC47H65NO14
  • Average mass868.017 Da
  • Monoisotopic mass867.440491 Da
  • ChemSpider ID4948761

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-[(2-Hydroxy-5-oxo-1-cyclopentén-1-yl)amino]-4-oxo-2-buténoate de (3E)-7,9,11,13,15,17,19,21,23-nonaoxo-3-octatriacontén-1-yle [French] [ACD/IUPAC Name]
(3E)-7,9,11,13,15,17,19,21,23-Nonaoxo-3-octatriaconten-1-yl (2E)-4-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-4-oxo-2-butenoate [ACD/IUPAC Name]
(3E)-7,9,11,13,15,17,19,21,23-Nonaoxo-3-octatriaconten-1-yl-(2E)-4-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-4-oxo-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 4-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-4-oxo-, (3E)-7,9,11,13,15,17,19,21,23-nonaoxo-3-octatriaconten-1-yl ester, (2E)- [ACD/Index Name]
(3E)-7,9,11,13,15,17,19,21,23-NONAOXOOCTATRIACONT-3-EN-1-YL (2E)-3-[(2-HYDROXY-5-OXOCYCLOPENT-1-EN-1-YL)CARBAMOYL]PROP-2-ENOATE
29382-82-9 [RN]
65522-50-1 [RN]
Flavensomycin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 982.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.3±6.0 kJ/mol
Flash Point: 548.1±34.3 °C
Index of Refraction: 1.535
Molar Refractivity: 225.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 14.88
ACD/LogD (pH 5.5): 8.48
ACD/BCF (pH 5.5): 562228.94
ACD/KOC (pH 5.5): 128436.33
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 1079.21
ACD/KOC (pH 7.4): 246.54
Polar Surface Area: 246 Å2
Polarizability: 89.3±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 724.0±5.0 cm3

Click to predict properties on the Chemicalize site


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