ChemSpider 2D Image | 3-[(2S,3S)-18-[(2-Aminoethyl)carbamoyl]-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-8-vinyl-2,3-dihydro-2-porphyrinyl]propanoic acid | C37H44N6O5

3-[(2S,3S)-18-[(2-Aminoethyl)carbamoyl]-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-8-vinyl-2,3-dihydro-2-porphyrinyl]propanoic acid

  • Molecular FormulaC37H44N6O5
  • Average mass652.782 Da
  • Monoisotopic mass652.337341 Da
  • ChemSpider ID4590138
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

21H,22H-Porphine-13-propanoic acid, 17-[[(2-aminoethyl)amino]carbonyl]-7-ethenyl-2-ethyl-12,13-dihydro-15-(2-methoxy-2-oxoethyl)-3,8,12,18-tetramethyl-, (12S,13S)- [ACD/Index Name]
3-[(2S,3S)-18-[(2-Aminoethyl)carbamoyl]-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-8-vinyl-2,3-dihydro-2-porphyrinyl]propanoic acid [ACD/IUPAC Name]
3-[(2S,3S)-18-[(2-Aminoethyl)carbamoyl]-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-8-vinyl-2,3-dihydro-2-porphyrinyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(2S,3S)-18-[(2-aminoéthyl)carbamoyl]-13-éthyl-20-(2-méthoxy-2-oxoéthyl)-3,7,12,17-tétraméthyl-8-vinyl-2,3-dihydro-2-porphyrineyl]propanoïque [French] [ACD/IUPAC Name]
(2S-trans)-18-(((2-Aminoethyl)amino)carbonyl)-8-ethenyl-13-ethyl-2,3-dihydro-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-21H,23H-porphine-2-propanoic acid
114849-41-1 [RN]
21H,23H-Porphine-2-propanoic acid, 18-(((2-aminoethyl)amino)carbonyl)-8-ethenyl-13-ethyl-2,3-dihydro-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-, (2S-trans)-
Chlorin e6 ethylenediamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 1100.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.4±3.0 kJ/mol
Flash Point: 619.4±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 183.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 5.66
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: 176 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 525.0±3.0 cm3

Click to predict properties on the Chemicalize site






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