ChemSpider 2D Image | Methyl 14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-9-vinyl-3,4,23,25-tetradehydro-18,19,24,26-tetrahydrophorbine-21-carboxylate | C55H74N4O5

Methyl 14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-9-vinyl-3,4,23,25-tetradehydro-18,19,24,26-tetrahydrophorbine-21-carboxylate

  • Molecular FormulaC55H74N4O5
  • Average mass871.200 Da
  • Monoisotopic mass870.565918 Da
  • ChemSpider ID24836113

  • Double-bond stereo - Double-bond stereo

More details:

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

Methyl 14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-9-vinyl-3,4,23,25-tetradehydro-18,19,24,26-tetrahydrophorbine-21-carboxylate [ACD/IUPAC Name]
Methyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-9-vinyl-3,4,23,25-tetradehydro-18,19,24,26-tetrahydrophorbin-21-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1041.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.7±3.0 kJ/mol
Flash Point: 583.8±34.3 °C
Index of Refraction: 1.570
Molar Refractivity: 257.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 15.61
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 127 Å2
Polarizability: 102.0±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 783.7±3.0 cm3

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