ChemSpider 2D Image | Protoporphyrin IX | C34H34N4O4

Protoporphyrin IX

  • Molecular FormulaC34H34N4O4
  • Average mass562.658 Da
  • Monoisotopic mass562.257996 Da
  • ChemSpider ID10469486
  • Double-bond stereo - Double-bond stereo


More details:






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

Protoporphyrin IX [Wiki]
1,3,5,8-Tetramethyl-2,4-divinylporphine-6,7-dipropionic Acid
209-033-7 [EINECS]
21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethenyl-3,8,13,17-tetramethyl- [ACD/Index Name]
3,3'-(3,7,12,17-Tetramethyl-8,13-divinyl-2,18-porphyrindiyl)dipropanoic acid [ACD/IUPAC Name]
3,3'-(3,7,12,17-Tetramethyl-8,13-divinyl-2,18-porphyrindiyl)dipropansäure [German] [ACD/IUPAC Name]
3,3'-(3,7,12,17-Tetramethyl-8,13-divinylporphyrin-2,18-diyl)dipropanoic acid
3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid
553-12-8 [RN]
7,12-Diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 2632 [DBID]
P8293_SIGMA [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1122.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 173.0±3.0 kJ/mol
Flash Point: 632.4±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 162.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.33
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: 64.5±0.5 10-24cm3
Surface Tension: 65.7±3.0 dyne/cm
Molar Volume: 433.2±3.0 cm3

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