ChemSpider 2D Image | Chlorophyll a | C55H72MgN4O5

Chlorophyll a

  • Molecular FormulaC55H72MgN4O5
  • Average mass893.489 Da
  • Monoisotopic mass892.535339 Da
  • ChemSpider ID16736115
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

[(1Z,3R,9Z,14Z,18Z,21S,22S)-16-éthènyl-11-éthyl-12,17,21,26-tétraméthyl-4-oxo-22-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tétraméthyl-2-hexadécèn-1-yl]oxy}propyl)-7,23,24,25-tétraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-décaène-3-carboxylatato(2-)-κ2N,N' de méthyle]magnésium
[(3S,4S,21R)-9-éthènyl-14-éthyl-4,8,13,18-tétraméthyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tétraméthyl-2-hexadécèn-1-yl]oxy}propyl)-21-phorbinecarboxylatato(2-)-κ2N,N' de méthyle]magnésium
[Methyl (1Z,3R,9Z,14Z,18Z,21S,22S)-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-16-vinyl-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylatato(2-)-κ2N,N']magnesium
[Methyl (3S,4S,21R)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-9-vinyl-21-phorbinecarboxylatato(2-)-κ2N,N']magnesium [ACD/IUPAC Name]
[Methyl (3S,4S,21R)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-9-vinylphorbine-21-carboxylatato(2-)-κ2N,N']magnesium
[methyl (3S,4S,21R)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)phorbine-21-carboxylatato(2-)-κ2N,N']magnesium
[Methyl-(1Z,3R,9Z,14Z,18Z,21S,22S)-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-16-vinyl-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-3-carboxylatato(2-)-κ2N,N']magnesium
[Methyl-(1Z,3S,4S,6Z,10Z,15Z,21R)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-9-vinylphorbin-21-carboxylatato(2-)-κ2N,N']magnesium
479-61-8 [RN]
a-Chlorophyll
More...
  • Miscellaneous
    • Appearance:

      solid Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable, but may discolour upon exposure to light.Incompatible with strong oxidizing agents. May be air sensitive. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      IPR-RAT LD50 > 100 mg kg-1, IVN-GPG LD50 85 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      Minimize contact. Oxford University Chemical Safety Data (No longer updated) More details

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations:
ACD/LogP:
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: 103 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site





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