ChemSpider 2D Image | 3,3'-(3,7,12,17-Tetramethyl-8,13-divinyl-1,2,3,4,5,6,7,8,9,10,13,15,16,17,18,19,20,24-octadecahydroporphyrin-2,18-diyl)dipropanoic acid | C34H52N4O4

3,3'-(3,7,12,17-Tetramethyl-8,13-divinyl-1,2,3,4,5,6,7,8,9,10,13,15,16,17,18,19,20,24-octadecahydroporphyrin-2,18-diyl)dipropanoic acid

  • Molecular FormulaC34H52N4O4
  • Average mass580.801 Da
  • Monoisotopic mass580.398865 Da
  • ChemSpider ID1011

More details:






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

21H,22H-Porphine-2,18-dipropanoic acid, 8,13-diethenyl-1,2,3,4,5,6,7,8,9,10,13,15,16,17,18,19,20,24-octadecahydro-3,7,12,17-tetramethyl- [ACD/Index Name]
3,3'-(3,7,12,17-Tetramethyl-8,13-divinyl-1,2,3,4,5,6,7,8,9,10,13,15,16,17,18,19,20,24-octadecahydroporphyrin-2,18-diyl)dipropanoic acid [ACD/IUPAC Name]
3,3'-(3,7,12,17-Tetramethyl-8,13-divinyl-1,2,3,4,5,6,7,8,9,10,13,15,16,17,18,19,20,24-octadecahydroporphyrin-2,18-diyl)dipropansäure [German] [ACD/IUPAC Name]
Acide 3,3'-(3,7,12,17-tétraméthyl-8,13-divinyl-1,2,3,4,5,6,7,8,9,10,13,15,16,17,18,19,20,24-octadécahydroporphyrine-2,18-diyl)dipropanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 739.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.3±6.0 kJ/mol
Flash Point: 400.8±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 161.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.60
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.06
Polar Surface Area: 123 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 439.1±7.0 cm3

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