31,32-Didehydro-132-oxo-131,132-oxy-131,132-secophytochlorin
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31,32-Didehydro-132-oxo-131,132-oxy-131,132-secophytochlorin
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CAS No:
25465-77-4
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Formula:
C33H32N4O5
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Chemical Name:
31,32-Didehydro-132-oxo-131,132-oxy-131,132-secophytochlorin
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Synonyms:
PP-18;purpurin 18;purpurin-18;Purpurin 18;25465-77-4;Purpurin-18;3-[(22S,23S)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetrazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoic acid;pyrpurin-18;PP-18;Puppurin 18;SCHEMBL272202;CHEMBL499696;BCP10887;HY-128972;CS-0102953;465P774;J-016002;31,32-Didehydro-132-oxo-131,132-oxy-131,132-secophytochlorin;21H,23H-Porphine-2,20-dicarboxylic acid, 18-(2-carboxyethyl)-12-ethenyl-7-ethyl-17,18-dihydro-3,8,13,17-tetramethyl-, cyclic 2,20-anhydride, (17S-trans)-
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CAS No:
31,32-Didehydro-132-oxo-131,132-oxy-131,132-secophytochlorin Basic Attributes
564.6 g/mol
564.23727013 g/mol
Computed Properties
Molecular Weight:564.6
XLogP3:3.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:564.23727013
Monoisotopic Mass:564.23727013
Topological Polar Surface Area:138
Heavy Atom Count:42
Complexity:1080
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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