ChemSpider 2D Image | (17S,18S)-18-(2-Carboxyethyl)-7-ethyl-3,8,13,17,20-pentamethyl-12-vinyl-17,18-dihydro-2-porphyrincarboxylic acid | C33H36N4O4

(17S,18S)-18-(2-Carboxyethyl)-7-ethyl-3,8,13,17,20-pentamethyl-12-vinyl-17,18-dihydro-2-porphyrincarboxylic acid

  • Molecular FormulaC33H36N4O4
  • Average mass552.663 Da
  • Monoisotopic mass552.273682 Da
  • ChemSpider ID35467198

  • 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-(2-Carboxyethyl)-7-ethyl-3,8,13,17,20-pentamethyl-12-vinyl-17,18-dihydro-2-porphyrincarbonsäure [German] [ACD/IUPAC Name]
(17S,18S)-18-(2-Carboxyethyl)-7-ethyl-3,8,13,17,20-pentamethyl-12-vinyl-17,18-dihydro-2-porphyrincarboxylic acid [ACD/IUPAC Name]
Acide (17S,18S)-18-(2-carboxyéthyl)-7-éthyl-3,8,13,17,20-pentaméthyl-12-vinyl-17,18-dihydro-2-porphyrinecarboxylique [French] [ACD/IUPAC Name]
550-52-7 [RN]
chlorin e4

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

Density: 1.3±0.1 g/cm3
Boiling Point: 971.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.2±3.0 kJ/mol
Flash Point: 541.3±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 157.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.73
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: 132 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 440.5±3.0 cm3

Click to predict properties on the Chemicalize site


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