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(12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-12,13-dihydro-13-methyl-21H,23H-porphyrin-2,7,12,18-tetrapropanoic acid

HCID 178782897
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Basic information

CAS
73528-45-7
Standard SMILES
C[C@@]1(CC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc(n2)[C@H]1CCC(=O)O)c(CC(=O)O)c5CCC(=O)O)C(CC(=O)O)=C4CCC(=O)O)c(CCC(=O)O)c3CC(=O)O
InChIKey
SGZRTPRHRWDBFF-QBSCSIEWSA-N
Molecular formula
C41H42N4O16
Average molar mass
846.79 g/mol

Names & identifiers

Preferred name
(12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-12,13-dihydro-13-methyl-21H,23H-porphyrin-2,7,12,18-tetrapropanoic acid
English name
(12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-12,13-dihydro-13-methyl-21H,23H-porphyrin-2,7,12,18-tetrapropanoic acid
Molecular formula
C41H42N4O16
Molecular weight
846.79

Names & synonyms

Faktor I(2S)-2α-Methyl-2,3β-dihydrouroporphyrin III(2S,3S)-2,3-Dihydro-2-methyluroporphyrin III(12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-12,13-dihydro-13-methyl-21H,23H-porphyrin-2,7,12,18-tetrapropanoic acid

Database identifiers

CAS
73528-45-7

Properties

Physicochemical properties

Boiling point
1423.502 · 1423.502±65.00 °C(Press: 760.00 Torr)(predicted)
Density
1.526 · 1.526±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

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