ChemSpider 2D Image | 3,3'-[(7E)-3,8,13,17-Tetramethyl-7-(2-oxoethylidene)-12-vinyl-7,8-dihydroporphyrin-2,18-diyl]dipropanoic acid | C34H34N4O5

3,3'-[(7E)-3,8,13,17-Tetramethyl-7-(2-oxoethylidene)-12-vinyl-7,8-dihydroporphyrin-2,18-diyl]dipropanoic acid

  • Molecular FormulaC34H34N4O5
  • Average mass578.658 Da
  • Monoisotopic mass578.252930 Da
  • ChemSpider ID58191180
  • Double-bond stereo - Double-bond stereo


More details:






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

21H,23H-Porphine-2,18-dipropanoic acid, 12-ethenyl-7,8-dihydro-3,8,13,17-tetramethyl-7-(2-oxoethylidene)-, (7E)- [ACD/Index Name]
3,3'-[(7E)-3,8,13,17-Tetramethyl-7-(2-oxoethyliden)-12-vinyl-7,8-dihydroporphyrin-2,18-diyl]dipropansäure [German] [ACD/IUPAC Name]
3,3'-[(7E)-3,8,13,17-Tetramethyl-7-(2-oxoethylidene)-12-vinyl-7,8-dihydroporphyrin-2,18-diyl]dipropanoic acid [ACD/IUPAC Name]
Acide 3,3'-[(7E)-3,8,13,17-tétraméthyl-7-(2-oxoéthylidène)-12-vinyl-7,8-dihydroporphyrine-2,18-diyl]dipropanoïque [French] [ACD/IUPAC Name]
156198-96-8 [RN]
2,21,22,23,24-Pentaazapentacyclo[16.2.1.13,6.18,11.113,16]tetracos-9-ene-10,14-dipropanoicacid, 4-ethenyl-20-hydroxy-5,9,15,20-tetramethyl-19-(2-oxoethylidene)-,10,14-dimethyl ester, (19E,20R)-
3-ethenyl-2,7,12,18-tetramethyl-8-(2-oxoethylidene)-21H,23H-porphine-13,17-dipropanoic acid
3-VINYL-2,7,12,18-TETRAMETHYL-8-(2-OXOETHYLIDENE)-21H,23H-PORPHINE-13,17-DIPROPANOIC ACID

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1078.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.6±3.0 kJ/mol
Flash Point: 605.9±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 163.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.22
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: 149 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 437.6±3.0 cm3

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