7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin
Basic information
- CAS
77222-65-2- Standard SMILES
C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C(C)O- InChIKey
YFPRKBHRSWJRBU-UHFFFAOYSA-N- Molecular formula
- C34H36N4O5
- Average molar mass
- 580.7 g/mol
- Monoisotopic mass
- 580.26857026
Overview
See also: Porfimer (monomer of).
Names & identifiers
- Preferred name
- 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin
- IUPAC
- 3-[18-(2-carboxyethyl)-13-ethenyl-8-(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
- English name
- DEUTEROPORPHYRIN IX 2,4 (4,2) HYDROXYETHYL VINYL
- Molecular formula
- C34H36N4O5
- Molecular weight
- 580.67
Names & synonyms
Deuteroporphyrin IX 2,4 (4,2) hydroxyethyl vinyl77222-65-28H8GR50XSYUNII-8H8GR50XSY7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin21H,23H-porphine-2,18-dipropanoic acid, 7-ethenyl-12-(1-hydroxyethyl)-3,8,13,17-tetramethyl-RefChem:67743-[18-(2-carboxyethyl)-13-ethenyl-8-(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid7-Ethenyl-12-(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acidAGN-PC-0JRCBQCHEMBL273985DTXSID20332411
Show more names
8,13(13,8)-1-hydroxyethyl,vinyl-3,7,12, 17-tetramethyl-21H,23H-porphine-2, 18-dipropionic acidDeuteroporphyrin IX, 2-hydroxyethyl-4-vinyl3,3'-[7-Ethenyl-12-(1-hydroxyethyl)-3,8,13,17-tetramethylporphyrin-2,18-diyl]dipropanoic acid3,8,13,17-Tetramethyl-12-(1-hydroxyethyl)-7-ethenyl-21H,23H-porphine-2,18-dipropanoic acid3-[(1Z,4Z,9Z,15Z)-18-(2-carboxyethyl)-8-(1-hydroxyethyl)-3,7,12,17-tetramethyl-13-vinyl-21,23-dihydroporphyrin-2-yl]propanoic acid7-Ethenyl-12-(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoicacid
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Boiling point
- 1154 · 1154.0±65.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- FDA UNII
- 8 H8GR50XSY · 8H8GR50XSY
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