 Home > Encyclopedia > 3-[18-[(E)-2-carboxylatoethenyl]-8,13-bis(carboxylatomethyl)-3,8,13,17-tetramethyl-12-oxido-7-oxoporphyrin-21-id-2-yl]propanoate,hydron,iron(2+)

3-[18-[(E)-2-carboxylatoethenyl]-8,13-bis(carboxylatomethyl)-3,8,13,17-tetramethyl-12-oxido-7-oxoporphyrin-21-id-2-yl]propanoate,hydron,iron(2+)

3-[18-[(E)-2-carboxylatoethenyl]-8,13-bis(carboxylatomethyl)-3,8,13,17-tetramethyl-12-oxido-7-oxoporphyrin-21-id-2-yl]propanoate,hydron,iron(2+) structure

CAS No:
59948-35-5
Formula:
C34H30FeN4O10
Chemical Name:
3-[18-[(E)-2-carboxylatoethenyl]-8,13-bis(carboxylatomethyl)-3,8,13,17-tetramethyl-12-oxido-7-oxoporphyrin-21-id-2-yl]propanoate,hydron,iron(2+)
Synonyms:
Heme d1; Ferrate(4-),(13-(2-carboxyethenyl)-17-(2-carboxyethyl)-7,8-dihydro-7,8-bis(hydroxymethyl)-7,8,12,18-tetramethyl-21H,23H-porphine-2,3-dicarboxylato(6-)-N21,N22,N23,N24)-,tetrahydrogen; 3-[3,8,13,17-tetramethyl-12-oxido-8,13-bis(2-oxido-2-oxoethyl)-18-[(E)-3-oxido-3-oxoprop-1-enyl]-7-oxoporphyrin-21-id-2-yl]propanoate;
Categories:
Organic Chemistry > Coordination Complexes

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3-[18-[(E)-2-carboxylatoethenyl]-8,13-bis(carboxylatomethyl)-3,8,13,17-tetramethyl-12-oxido-7-oxoporphyrin-21-id-2-yl]propanoate,hydron,iron(2+) Basic Attributes

Molecular Weight：

710.46800

Exact Mass：

710.131129

Characteristics

PSA：

239.30000

XLogP3：

-1.09680

Boiling Point：

935.3ºC at 760 mmHg

Flash Point：

519.4ºC

Drug Information

MeSH Entry Terms：

heme d(1)

Computed Properties

Molecular Weight:710.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:5
Exact Mass:710.131129
Monoisotopic Mass:710.131129
Topological Polar Surface Area:222
Heavy Atom Count:49
Complexity:1350
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:6
Compound Is Canonicalized:Yes

Latest News on 3-[18-[(E)-2-carboxylatoethenyl]-8,13-bis(carboxylatomethyl)-3,8,13,17-tetramethyl-12-oxido-7-oxoporphyrin-21-id-2-yl]propanoate,hydron,iron(2+)

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Guide of 3-[18-[(E)-2-carboxylatoethenyl]-8,13-bis(carboxylatomethyl)-3,8,13,17-tetramethyl-12-oxido-7-oxoporphyrin-21-id-2-yl]propanoate,hydron,iron(2+)

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