hydroxymethylbilane

3-[5-[[3-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid

CAS: 71861-60-4

Molecular Formula	`C40H46N4O17`
Molecular Weight	854.8 g/mol
LogP	-0.9
Topological Polar Surface Area	382.0 A2
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	17
Rotatable Bonds	27
Exact Mass	854.28577
Heavy Atoms	61
Complexity	1600.0

Chemical Identifiers

CAS Number	71861-60-4
SMILES	`C1=C(C(=C(N1)CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)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`
InChIKey	`WDFJYRZCZIUBPR-UHFFFAOYSA-N`

📖 Product Overview

hydroxymethylbilane (CAS: 71861-60-4) is a chemical compound with molecular formula C40H46N4O17 and molecular weight 854.8 g/mol. Its IUPAC systematic name is 3-[5-[[3-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid. LogP -0.9 Topological Polar Surface Area 382.0 A2 Hydrogen Bond Donors 13 Hydrogen Bond Acceptors 17 Rotatable Bonds 27 Exact Mass 854.28577 Heavy Atoms 61 Complexity 1600.0 InChI Key: WDFJYRZCZIUBPR-UHFFFAOYSA-N. SMILES: C1=C(C(=C(N1)CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)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.

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