ChemSpider 2D Image | (17S,18S)-18-(2-Carboxyethyl)-7-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18-dihydro-2,20-porphyrindicarboxylic acid | C33H34N4O6

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

  • Molecular FormulaC33H34N4O6
  • Average mass582.646 Da
  • Monoisotopic mass582.247864 Da
  • ChemSpider ID4590056

  • 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-tetramethyl-12-vinyl-17,18-dihydro-2,20-porphyrindicarbonsäure [German] [ACD/IUPAC Name]
(17S,18S)-18-(2-Carboxyethyl)-7-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18-dihydro-2,20-porphyrindicarboxylic acid [ACD/IUPAC Name]
21H,22H-Porphine-13,15-dicarboxylic acid, 17-(2-carboxyethyl)-3-ethenyl-8-ethyl-17,18-dihydro-2,7,12,18-tetramethyl-, (17S,18S)- [ACD/Index Name]
Acide (17S,18S)-18-(2-carboxyéthyl)-7-éthyl-3,8,13,17-tétraméthyl-12-vinyl-17,18-dihydro-2,20-porphyrinedicarboxylique [French] [ACD/IUPAC Name]
21H,23H-Porphine-2,20-dicarboxylic acid, 18-(2-carboxyethyl)-12-ethenyl-7-ethyl-17,18-dihydro-3,8,13,17-tetramethyl-, (17S-trans)-
22006-68-4 [RN]
Chlorin p6

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

Density: 1.3±0.1 g/cm3
Boiling Point: 999.2±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: 558.1±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 159.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.44
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: 169 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 436.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement