ChemSpider 2D Image | pyropheophorbide a | C33H34N4O3

pyropheophorbide a

  • Molecular FormulaC33H34N4O3
  • Average mass534.648 Da
  • Monoisotopic mass534.263062 Da
  • ChemSpider ID10381282

  • 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

24533-72-0 [RN]
3-[(3S,4S)-14-Ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-3-phorbinyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(3S,4S)-14-éthyl-4,8,13,18-tétraméthyl-20-oxo-9-vinyl-3-phorbinyl]propanoïque [French] [ACD/IUPAC Name]
pyropheophorbide a
pyropheophorbide-a (PPa)
73087 [Beilstein]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL520220/
pyrophaeophorbide a
Pyropheophorbide-a

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1006.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.9±3.0 kJ/mol
Flash Point: 562.4±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 153.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.20
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: 112 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 424.6±3.0 cm3

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