ChemSpider 2D Image | (17S,18S)-18-{3-[(2-Aminoethyl)amino]-3-oxopropyl}-20-(carboxymethyl)-7,12-diethyl-3,8,13,17-tetramethyl-17,18-dihydro-2-porphyrincarboxylic acid | C36H44N6O5

(17S,18S)-18-{3-[(2-Aminoethyl)amino]-3-oxopropyl}-20-(carboxymethyl)-7,12-diethyl-3,8,13,17-tetramethyl-17,18-dihydro-2-porphyrincarboxylic acid

  • Molecular FormulaC36H44N6O5
  • Average mass640.772 Da
  • Monoisotopic mass640.337341 Da
  • ChemSpider ID4590011

  • 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

(17S,18S)-18-{3-[(2-Aminoethyl)amino]-3-oxopropyl}-20-(carboxymethyl)-7,12-diethyl-3,8,13,17-tetramethyl-17,18-dihydro-2-porphyrincarbonsäure [German] [ACD/IUPAC Name]
(17S,18S)-18-{3-[(2-Aminoethyl)amino]-3-oxopropyl}-20-(carboxymethyl)-7,12-diethyl-3,8,13,17-tetramethyl-17,18-dihydro-2-porphyrincarboxylic acid [ACD/IUPAC Name]
Acide (17S,18S)-18-{3-[(2-aminoéthyl)amino]-3-oxopropyl}-20-(carboxyméthyl)-7,12-diéthyl-3,8,13,17-tétraméthyl-17,18-dihydro-2-porphyrinecarboxylique [French] [ACD/IUPAC Name]
147740-90-7 [RN]
meso-Chlorin e(6) monoethylene diamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1085.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.9±3.0 kJ/mol
Flash Point: 610.4±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 176.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 5.90
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: 187 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 506.5±3.0 cm3

Click to predict properties on the Chemicalize site


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