2-Vinyl-4-(Hydroxymethyl)Deuteroporphyrin IX
[CAS# 91874-97-4]

Identification

• Name: 2-Vinyl-4-(Hydroxymethyl)Deuteroporphyrin IX
• Synonyms: 2-Vinyl-4-(Hydroxymethyl)Deuteroporphyrin Ix; 21H,23H-Porphine-2,18-Dipropanoic Acid, 8-Ethenyl-13-(Hydroxymethyl)-3,7,12,17-Tetramethyl-, (3As-(3Aalpha,4Beta,6Aalpha))-
• Molecular Formula: C₃₅H₃₈N₄O₅
• Molecular Weight: 594.71
• CAS Registry Number: 91874-97-4
• SMILES: C(C3=C(C4=CC5=NC(=CC1=C(C(=C([NH]1)C=C2N=C(C(=C2C)CCC(OC)=O)C=C3[NH]4)C)C=C)C(=C5CO)C)C)CC(OC)=O
• InChI: 1S/C35H38N4O5/c1-8-22-18(2)26-13-27-19(3)23(9-11-34(41)43-6)31(37-27)16-32-24(10-12-35(42)44-7)20(4)28(38-32)15-33-25(17-40)21(5)29(39-33)14-30(22)36-26/h8,13-16,36,38,40H,1,9-12,17H2,2-7H3
• InChIKey: CXSNTEZIWDUQLA-UHFFFAOYSA-N

Properties

• Density: 1.235g/cm³ (Cal.)
• Boiling point: 1054.547°C at 760 mmHg (Cal.)
• Flash point: 591.569°C (Cal.)