(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-tetrapropanoic acid
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(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-tetrapropanoic acid
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CAS No:
65207-12-7
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Formula:
C42H46N4O16
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Chemical Name:
(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-tetrapropanoic acid
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Synonyms:
21H,22H-Porphine-3,7,12,17-tetrapropanoic acid,2,8,13,18-tetrakis(carboxymethyl)-12,13,17,18-tetrahydro-13,18-dimethyl-,(12S,13S,17S,18S)-;(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-tetrapropanoic acid;Sirohydrochlorin;185118-56-3
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CAS No:
Description
Sirohydrochlorin is a member of isobacteriochlorins. It has a role as an Escherichia coli metabolite and a cofactor. It is a conjugate acid of a sirohydrochlorin(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-tetrapropanoic acid Basic Attributes
862.8 g/mol
862.83
Computed Properties
Molecular Weight:862.8
XLogP3:0.9
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:20
Exact Mass:862.29088139
Monoisotopic Mass:862.29088139
Topological Polar Surface Area:356
Heavy Atom Count:62
Complexity:1730
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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