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72984-36-2 | 21H,23H-Porphine-7-propanoic acid,3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-, trisodium salt, (7S,8S)-
CAS No: 72984-36-2 Catalog No: AG01FG5V MDL No:
Product Description
Catalog Number:
AG01FG5V
Chemical Name:
21H,23H-Porphine-7-propanoic acid,3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-, trisodium salt, (7S,8S)-
CAS Number:
72984-36-2
IUPAC Name:
trisodium;(17S,18S)-18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylate
InChI:
InChI=1S/C34H36N4O6.3Na/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;/h7,12-14,17,21,35-36H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44);;;/q;3*+1/p-3/t17-,21-;;;/m0.../s1
InChI Key:
GLYNRUZZTONMKD-HDCLIJNVSA-K
EC Number:
277-169-4
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
662.209g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
662.629g/mol
Monoisotopic Mass:
662.209g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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