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Siroheme

Siroheme structure

CAS No:
52553-42-1
Formula:
C42H36FeN4O16.8H
Chemical Name:
Siroheme
Synonyms:
Ferrate(8-),[(12S,13S,17S,18S)-2,8,13,18-tetrakis(carboxymethyl)-12,13,17,18-tetrahydro-13,18-dimethyl-21H,22H-porphine-3,7,12,17-tetrapropanoato(10-)-κN21,κN22,κN23,κN24]-,hydrogen (1:8),(SP-4-2)-;Ferrate(8-),[3,8,13,17-tetrakis(carboxymethyl)-7,8,12,13-tetrahydro-8,13-dimethyl-21H,23H-porphine-2,7,12,18-tetrapropanoato(10-)-κN21,κN22,κN23,κN24]-,octahydrogen,[SP-4-2-[7S-(7α,8β,12α,13β)]]-;Ferrate(8-),[(12S,13S,17S,18S)-2,8,13,18-tetrakis(carboxymethyl)-12,13,17,18-tetrahydro-13,18-dimethyl-21H,22H-porphine-3,7,12,17-tetrapropanoato(10-)-κN21,κN22,κN23,κN24]-,octahydrogen,(SP-4-2)-;Siroheme;66006-55-1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Siroheme Basic Attributes

Molecular Weight：

916.7 g/mol

Exact Mass：

916.210167 g/mol

Characteristics

PSA：

349 Å²

Drug Information

MeSH Entry Terms：

octacarboxylate iron-tetrahydroporphyrin

Computed Properties

Molecular Weight:916.7
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:12
Exact Mass:916.210167
Monoisotopic Mass:916.210167
Topological Polar Surface Area:349
Heavy Atom Count:63
Complexity:1690
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:10
Compound Is Canonicalized:Yes