ChemSpider 2D Image | (17S,18S)-18-{3-[(2-Aminoethyl)amino]-3-oxopropyl}-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18-dihydro-2-porphyrincarboxylic acid | C36H42N6O5

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

  • Molecular FormulaC36H42N6O5
  • Average mass638.756 Da
  • Monoisotopic mass638.321655 Da
  • ChemSpider ID4677868

  • 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-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18-dihydro-2-porphyrincarbonsäure [German] [ACD/IUPAC Name]
(17S,18S)-18-{3-[(2-Aminoethyl)amino]-3-oxopropyl}-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18-dihydro-2-porphyrincarboxylic acid [ACD/IUPAC Name]
Acide (17S,18S)-18-{3-[(2-aminoéthyl)amino]-3-oxopropyl}-20-(carboxyméthyl)-7-éthyl-3,8,13,17-tétraméthyl-12-vinyl-17,18-dihydro-2-porphyrinecarboxylique [French] [ACD/IUPAC Name]
126294-34-6 [RN]
CE6MM

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1092.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 168.1±3.0 kJ/mol
Flash Point: 614.7±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 178.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 5.39
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: 70.6±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 499.6±3.0 cm3

Click to predict properties on the Chemicalize site


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