Cas no 15664-29-6 (Pheophorbide A (>80%) (mixture of diastereomers))

Pheophorbide A (>80%) (mixture of diastereomers) structure
15664-29-6 structure
Product Name:Pheophorbide A (>80%) (mixture of diastereomers)
CAS No:15664-29-6
MF:C35H36N4O5
MW:592.684148788452
CID:50168
PubChem ID:253193
Update Time:2025-04-18

Pheophorbide A (>80%) (mixture of diastereomers) Chemical and Physical Properties

Names and Identifiers

    • Pheophorbide A
    • (3S,4S)-9-Ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid
    • PHEOPHORBIDE A(AS) (In Solution)
    • [3s-(3alpha,4beta,21beta)]-ramethyl-20-oxo
    • 13-Epi-phaeophorbid
    • B22-12-,23-13-,24-12-,25-14-,26-13-,27-14
    • C35H36N4o5
    • H8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)
    • Rel-3-[(3R,4R)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acid
    • Pheophorbide A (>80%) (mixture of diastereomers)
    • (3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid
    • CHEMBL2006244
    • Phaeophorbid-a
    • CCRIS 8091
    • CS-0092948
    • C18021
    • phaeophorbide
    • pheophorbide a, AldrichCPR
    • NSC-75783
    • Q63370
    • IA2WNI2HO2
    • NCI60_041663
    • 3-[(3R,8Z,13Z,19Z,21S,22S)-11-Ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-16-vinyl-7,23,24,25-tetraazahexacyclo[18.2.1.1~5,8~.1~10,13~.1~15,18~.0~2,6~]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaen-22-yl]propanoic acid
    • Pheophorbide a'
    • PhaeophorbideA
    • (3S-(3alpha,4beta,21beta))-14-Ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionic acid
    • 3-[(3S,4S,21R)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acid
    • CHEBI:38257
    • (2(2)R,17S,18S)-7-ethyl-2(1),2(2),17,18-tetrahydro-2(2)-(methoxycarbonyl)-3,8,13,17-tetramethyl-2(1)-oxo-12-ethenylcyclopenta[at]porphyrin-18-propanoic acid
    • Phaeophorbide A
    • Pheophorbide-a, >=90% (HPLC)
    • HY-125665
    • 13-epi-Phaeophorbide a
    • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)-
    • SCHEMBL579034
    • DTXSID10884550
    • Phaeophorbid a
    • UNII-IA2WNI2HO2
    • NSFSLUUZQIAOOX-LDCXZXNSSA-N
    • SCHEMBL56439
    • CHEMBL510103
    • 15664-29-6
    • 3-[(3R,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
    • EINECS 239-738-5
    • RKEBXTALJSALNU-LDCXZXNSSA-N
    • 3-[(1Z,3R,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-7,23,24,25-tetraazahexacyclo[18.2.1.1?,?.1??,??.1??,??.0?,?]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
    • Phaeophorbid a; Phaeophorbid-a
    • DA-76817
    • G78078
    • pheophorbide-a
    • MDL: MFCD00210345
    • Inchi: 1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,38,42H,1,9-11H2,2-7H3,(H,40,41)/b24-12-,26-13-,27-14-,32-30-/t17-,21-,31+/m0/s1
    • InChI Key: RKEBXTALJSALNU-JGPSZEMESA-N
    • SMILES: OC1=C2C(C)=C3C=C4C(CC)=C(C)C(C=C5C(C=C)=C(C)C(C=C6[C@@H](C)[C@H](CCC(=O)O)C(=C(C2=N3)[C@H]1C(=O)OC)N6)=N5)=N4 |t:6,14,22,32|

Computed Properties

  • Exact Mass: 592.26900
  • Monoisotopic Mass: 592.26857
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 7
  • Complexity: 1130
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 1001
  • XLogP3: 5.2
  • Topological Polar Surface Area: 138

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.35
  • Melting Point: Nota available
  • Boiling Point: 1014.4 °C at 760 mmHg
  • Flash Point: 567.3 °C
  • Refractive Index: 1.63
  • Solubility: DMSO: soluble0.5mg/mL, clear (warmed)
  • PSA: 136.97000
  • LogP: 3.53890
  • Solubility: Not determined
  • Vapor Pressure: 0.0±0.3 mmHg at 25°C

Pheophorbide A (>80%) (mixture of diastereomers) Security Information

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