ChemSpider 2D Image | 3-[(3S,4S)-14-Ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-3,4,20,21,23,25-hexahydro-11H-phorbin-21-id-3-yl]propanoate | C35H34N4O6

3-[(3S,4S)-14-Ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-3,4,20,21,23,25-hexahydro-11H-phorbin-21-id-3-yl]propanoate

  • Molecular FormulaC35H34N4O6
  • Average mass606.669 Da
  • Monoisotopic mass606.248962 Da
  • ChemSpider ID58145706

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

11H-Phorbine-3-propanoic acid, 9-ethenyl-14-ethyl-3,4,20,21,23,25-hexahydro-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, ion(2-), (3S,4S)- [ACD/Index Name]
3-[(3S,4S)-14-Ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-3,4,20,21,23,25-hexahydro-11H-phorbin-21-id-3-yl]propanoat [German] [ACD/IUPAC Name]
3-[(3S,4S)-14-Ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-3,4,20,21,23,25-hexahydro-11H-phorbin-21-id-3-yl]propanoate [ACD/IUPAC Name]
3-[(3S,4S)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4,20,21,23,25-hexahydro-11H-phorbin-21-id-3-yl]propanoate
epoxypheophorbide a
epoxypheophorbide a(2-)
  • Miscellaneous

    • Chemical Class:

      A cyclic tetrapyrrole anion obtained by removal of two protons from the carboxy and acidic methylene groups of epoxypheophorbide a. ChEBI CHEBI:88232

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

Density:
Boiling Point: 876.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 483.8±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.55
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:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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