3-[2-[[4-(2-Carboxyethyl)-5-[[4-(2-Carboxyethyl)-5-[[4-(2-Carboxyethyl)-3-(Carboxymethyl)-1H-Pyrrol-2-Yl]Methyl]-3-(Carboxymethyl)-1H-Pyrrol-2-Yl]Methyl]-3-(Carboxymethyl)-1H-Pyrrol-2-Yl]Methyl]-4-(Carboxymethyl)-5-(Hydroxymethyl)-1H-Pyrrol-3-Yl]Propanoic Acid
[CAS# 73023-76-4]

Identification

• Name: 3-[2-[[4-(2-Carboxyethyl)-5-[[4-(2-Carboxyethyl)-5-[[4-(2-Carboxyethyl)-3-(Carboxymethyl)-1H-Pyrrol-2-Yl]Methyl]-3-(Carboxymethyl)-1H-Pyrrol-2-Yl]Methyl]-3-(Carboxymethyl)-1H-Pyrrol-2-Yl]Methyl]-4-(Carboxymethyl)-5-(Hydroxymethyl)-1H-Pyrrol-3-Yl]Propanoic Acid
• Synonyms: 3-[2-[[4-(2-Carboxyethyl)-5-[[4-(2-Carboxyethyl)-3-(Carboxymethyl)-1H-Pyrrol-2-Yl]Methyl]-3-(Carboxymethyl)-1H-Pyrrol-2-Yl]Methyl]-5-[[3-(2-Carboxyethyl)-4-(Carboxymethyl)-5-Methylol-1H-Pyrrol-2-Yl]Methyl]-4-(Carboxymethyl)-1H-Pyrrol-3-Yl]Propionic Acid; Hydroxymethylbilane; (Hydroxymethyl)Bilane
• Molecular Formula: C₄₀H₄₆N₄O₁₇
• Molecular Weight: 854.82
• CAS Registry Number: 73023-76-4
• SMILES: C1=C(C(=C([NH]1)CC2=C(C(=C([NH]2)CC3=C(C(=C([NH]3)CC4=C(C(=C([NH]4)CO)CC(O)=O)CCC(O)=O)CC(O)=O)CCC(O)=O)CC(O)=O)CCC(O)=O)CC(O)=O)CCC(O)=O
• InChI: 1S/C40H46N4O17/c45-17-32-25(12-40(60)61)21(4-8-36(52)53)29(44-32)15-31-24(11-39(58)59)20(3-7-35(50)51)28(43-31)14-30-23(10-38(56)57)19(2-6-34(48)49)27(42-30)13-26-22(9-37(54)55)18(16-41-26)1-5-33(46)47/h16,41-45H,1-15,17H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)
• InChIKey: WDFJYRZCZIUBPR-UHFFFAOYSA-N

Properties

• Density: 1.582g/cm³ (Cal.)
• Boiling point: 1135.59°C at 760 mmHg (Cal.)
• Flash point: 640.582°C (Cal.)

References

• (1): John R. HelliwellPresent address: CCLRC, Director of SR Science, Daresbury Labratory, Warrington WA4 4AD, Cheshire, UK. Email: j.r.helliwell@dl.ac.uk., Yeu Perng Nieh, Jarjis Habash, Paul F. Faulder, James Raftery, Michele Cianci, Michael Wulff and Alfons Hädener. Time-resolved and static-ensemble structural chemistry of hydroxymethylbilane synthase, Faraday Discuss., 2003, 122, 131.