ChemSpider 2D Image | 3,3',3''-(3,8,12,18-Tetramethyl-7-vinyl-6,10,14,15,20,24-hexahydro-1H,5H-porphine-2,13,17-triyl)tripropanoic acid | C35H42N4O6

3,3',3''-(3,8,12,18-Tetramethyl-7-vinyl-6,10,14,15,20,24-hexahydro-1H,5H-porphine-2,13,17-triyl)tripropanoic acid

  • Molecular FormulaC35H42N4O6
  • Average mass614.731 Da
  • Monoisotopic mass614.310425 Da
  • ChemSpider ID168204

More details:

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

1H,5H-Porphine-2,13,17-tripropanoic acid, 7-ethenyl-6,10,14,15,20,24-hexahydro-3,8,12,18-tetramethyl- [ACD/Index Name]
3,3',3''-(3,8,12,18-Tetramethyl-7-vinyl-6,10,14,15,20,24-hexahydro-1H,5H-porphin-2,13,17-triyl)tripropansäure [German] [ACD/IUPAC Name]
3,3',3''-(3,8,12,18-Tetramethyl-7-vinyl-6,10,14,15,20,24-hexahydro-1H,5H-porphine-2,13,17-triyl)tripropanoic acid [ACD/IUPAC Name]
Acide 3,3',3''-(3,8,12,18-tétraméthyl-7-vinyl-6,10,14,15,20,24-hexahydro-1H,5H-porphine-2,13,17-triyl)tripropanoïque [French] [ACD/IUPAC Name]
21H,23H-Porphine-2,7,18-tripropanoic acid, 12-ethenyl-5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl- [ACD/Index Name]
3-[9,20-bis(2-carboxyethyl)-14-ethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-3,5,9,11(23),14,16(22),18(21),19-octaen-4-yl]propanoic acid
42607-18-1 [RN]
Harderoporphyrinogen

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 840.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.0±3.0 kJ/mol
Flash Point: 462.0±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 167.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.24
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: 165 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 450.4±7.0 cm3

Click to predict properties on the Chemicalize site


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