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Pheophorbide a

CAT: 0127-BUP06451-02Size: 10 mgDry Ice: NoHazardous: No
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CAS Number
15664-29-6
Purity
=95%
Smiles
CCc1c(C)\c2=C\c3[nH]c(\C=C4/N=C([C@@H](CCC(O)=O)[C@@H]4C)C4=C5NC(\C=c1/[nH]2)C(C)=C5C(=O)[C@@H]4C(=O)OC)c(C)c3C=C

Chemical Information

Pheophorbide a

Pheophorbide a is a pheophorbide. It is a conjugate acid of a pheophorbide a(2-).

CAS Number15664-29-6
PubChem CID253193
IUPAC Name3-[(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
Molecular FormulaC35H36N4O5
Molecular Weight592.7
XLogP2.7
Topological Polar Surface Area133
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count44
Formal Charge0
Complexity1810
SMILES
CCC1=C(C2=NC1=CC3=C(C4=C([C@@H](C(=C5[C@H]([C@@H](C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)C(=O)OC)O)C)C
InChI
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)/t17-,21-,31+/m0/s1
InChIKey
RKEBXTALJSALNU-LDCXZXNSSA-N
Chemical Structure
2D Structure
2D structure of Pheophorbide a
CAS: 15664-29-6
CID: 253193
Formula: C35H36N4O5
MW: 592.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight592.7
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass592.26857026
Monoisotopic Mass592.26857026
Topological Polar Surface Area133 Ų
Heavy Atom Count44
Formal Charge0
Complexity1810
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-264070APheophorbide a
HY-125665RPheophorbide A (Standard)
T81812-01Methyl pheophorbide a
FP71877-01Pheophorbide A - mixture of diastereomers
sc-396917ACu (II) Pheophorbide a
TRC-P998428-5MGPheophorbide A (>80%) (mixture of diastereomers)
462485-01Pheophorbide A (~90%) (mixture of diastereomers)
MBS1473646-01Recombinant Arabidopsis thaliana Pheophorbide a oxygenase, chloroplastic (PAO)

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