3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+);hydrate


Chemical Name: 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+);hydrate
CAS Number: 15489-90-4
Product Number: AG00HYAL(AGN-PC-0JRBOW)
Synonyms:
MDL No: MFCD00011615
Molecular Formula: C34H33FeN4O5
Molecular Weight: 633.4946

Identification/Properties


Computed Properties
Molecular Weight:
634.514g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
8
Exact Mass:
634.188g/mol
Monoisotopic Mass:
634.188g/mol
Topological Polar Surface Area:
102A^2
Heavy Atom Count:
44
Formal Charge:
0
Complexity:
1580
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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