3,3'-(3,8,13,17-tetramethyl-7,12-divinylporphyrin-2,18-diyl)dipropionicacid

Catalog Number

ACM553128-1

CAS

553-12-8

Structure

Synonyms

ProtoporphyrinI X

IUPAC Name

3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoicacid

Molecular Weight

562.66

Molecular Formula

C34H34N404

Canonical SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C

InChI

InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)

InChI Key

ZCFFYALKHPIRKJ-UHFFFAOYSA-N

Boiling Point

629.06 °C

Melting Point

>300 °C

Purity

95%

Density

1.1829 g/ml

Appearance

Purple powder

Storage

2 - 8 °C

• Catalog Number: ACM553128-1
• CAS: 553-12-8
• Synonyms: ProtoporphyrinI X
• IUPAC Name: 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoicacid
• Molecular Weight: 562.66
• Molecular Formula: C34H34N404
• Canonical SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C
• InChI: InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)
• InChI Key: ZCFFYALKHPIRKJ-UHFFFAOYSA-N
• Boiling Point: 629.06 °C
• Melting Point: >300 °C
• Purity: 95%
• Density: 1.1829 g/ml
• Appearance: Purple powder
• Storage: 2 - 8 °C