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119722-97-3 | iron deuteroporphyrin 2,4-bis(glycol)
CAS No: 119722-97-3 Catalog No: AG009QMK MDL No:
Product Description
Catalog Number:
AG009QMK
Chemical Name:
iron deuteroporphyrin 2,4-bis(glycol)
CAS Number:
119722-97-3
IUPAC Name:
3-[18-(2-carboxylatoethyl)-8,13-bis(1,2-dihydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(2+)
InChI:
InChI=1S/C34H38N4O8.Fe/c1-15-19(5-7-31(43)44)25-12-26-20(6-8-32(45)46)16(2)22(36-26)10-27-34(30(42)14-40)18(4)24(38-27)11-28-33(29(41)13-39)17(3)23(37-28)9-21(15)35-25;/h9-12,29-30,39-42H,5-8,13-14H2,1-4H3,(H4,35,36,37,38,43,44,45,46);/q;+2/p-2
InChI Key:
CIWHHGCFJOJITA-UHFFFAOYSA-L
Properties
Complexity:
1040
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
684.188g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
684.527g/mol
Monoisotopic Mass:
684.188g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
189A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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