6-[[4-[[6-carboxy-4-(4-carboxylato-5-methylfuran-2-yl)-2-pyridinyl]methyl]-7-[[6-carboxy-4-(4-carboxy-5-methylfuran-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(4-carboxylato-5-methylfuran-2-yl)pyridine-2-carboxylate;europium(3+)

C45H39EuN6O15 — CID 172806601

About 6-[[4-[[6-carboxy-4-(4-carboxylato-5-methylfuran-2-yl)-2-pyridinyl]methyl]-7-[[6-carboxy-4-(4-carboxy-5-methylfuran-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(4-carboxylato-5-methylfuran-2-yl)pyridine-2-carboxylate;europium(3+)

6-[[4-[[6-carboxy-4-(4-carboxylato-5-methylfuran-2-yl)-2-pyridinyl]methyl]-7-[[6-carboxy-4-(4-carboxy-5-methylfuran-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(4-carboxylato-5-methylfuran-2-yl)pyridine-2-carboxylate;europium(3+) (PubChem CID 172806601) has the molecular formula C45H39EuN6O15 and a molecular weight of 1055.80 g/mol. Its IUPAC name is 6-[[4-[[6-carboxy-4-(4-carboxylato-5-methylfuran-2-yl)-2-pyridinyl]methyl]-7-[[6-carboxy-4-(4-carboxy-5-methylfuran-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(4-carboxylato-5-methylfuran-2-yl)pyridine-2-carboxylate;europium(3+).

Molecular Properties

• Compound Name: 6-[[4-[[6-carboxy-4-(4-carboxylato-5-methylfuran-2-yl)-2-pyridinyl]methyl]-7-[[6-carboxy-4-(4-carboxy-5-methylfuran-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(4-carboxylato-5-methylfuran-2-yl)pyridine-2-carboxylate;europium(3+)
• PubChem CID: 172806601
• Molecular Formula: C45H39EuN6O15
• Molecular Weight: 1055.80 g/mol
• Exact Mass: 1056.17
• IUPAC Name: 6-[[4-[[6-carboxy-4-(4-carboxylato-5-methylfuran-2-yl)-2-pyridinyl]methyl]-7-[[6-carboxy-4-(4-carboxy-5-methylfuran-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(4-carboxylato-5-methylfuran-2-yl)pyridine-2-carboxylate;europium(3+)
• SMILES: Cc1oc(-c2cc(CN3CCN(Cc4cc(-c5cc(C(=O)[O-])c(C)o5)cc(C(=O)O)n4)CCN(Cc4cc(-c5cc(C(=O)O)c(C)o5)cc(C(=O)O)n4)CC3)nc(C(=O)[O-])c2)cc1C(=O)[O-].[Eu+3]
• InChI: InChI=1S/C45H42N6O15.Eu/c1-22-31(40(52)53)16-37(64-22)25-10-28(46-34(13-25)43(58)59)19-49-4-6-50(20-29-11-26(14-35(47-29)44(60)61)38-17-32(41(54)55)23(2)65-38)8-9-51(7-5-49)21-30-12-27(15-36(48-30)45(62)63)39-18-33(42(56)57)24(3)66-39;/h10-18H,4-9,19-21H2,1-3H3,(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63);/q;+3/p-3
• InChIKey: RPEJGCZACVKBLH-UHFFFAOYSA-K
• XLogP: 1.58
• TPSA: 320.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1055.80
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[[6-carboxy-4-(4-carboxylato-5-methylfuran-2-yl)-2-pyridinyl]methyl]-7-[[6-carboxy-4-(4-carboxy-5-methylfuran-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(4-carboxylato-5-methylfuran-2-yl)pyridine-2-carboxylate;europium(3+)?

The IUPAC name of 6-[[4-[[6-carboxy-4-(4-carboxylato-5-methylfuran-2-yl)-2-pyridinyl]methyl]-7-[[6-carboxy-4-(4-carboxy-5-methylfuran-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(4-carboxylato-5-methylfuran-2-yl)pyridine-2-carboxylate;europium(3+) (CID 172806601) is 6-[[4-[[6-carboxy-4-(4-carboxylato-5-methylfuran-2-yl)-2-pyridinyl]methyl]-7-[[6-carboxy-4-(4-carboxy-5-methylfuran-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(4-carboxylato-5-methylfuran-2-yl)pyridine-2-carboxylate;europium(3+).

What is the SMILES notation for 6-[[4-[[6-carboxy-4-(4-carboxylato-5-methylfuran-2-yl)-2-pyridinyl]methyl]-7-[[6-carboxy-4-(4-carboxy-5-methylfuran-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(4-carboxylato-5-methylfuran-2-yl)pyridine-2-carboxylate;europium(3+)?

The canonical SMILES for 6-[[4-[[6-carboxy-4-(4-carboxylato-5-methylfuran-2-yl)-2-pyridinyl]methyl]-7-[[6-carboxy-4-(4-carboxy-5-methylfuran-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(4-carboxylato-5-methylfuran-2-yl)pyridine-2-carboxylate;europium(3+) is Cc1oc(-c2cc(CN3CCN(Cc4cc(-c5cc(C(=O)[O-])c(C)o5)cc(C(=O)O)n4)CCN(Cc4cc(-c5cc(C(=O)O)c(C)o5)cc(C(=O)O)n4)CC3)nc(C(=O)[O-])c2)cc1C(=O)[O-].[Eu+3].

What is the InChIKey of 6-[[4-[[6-carboxy-4-(4-carboxylato-5-methylfuran-2-yl)-2-pyridinyl]methyl]-7-[[6-carboxy-4-(4-carboxy-5-methylfuran-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(4-carboxylato-5-methylfuran-2-yl)pyridine-2-carboxylate;europium(3+)?

The InChIKey is RPEJGCZACVKBLH-UHFFFAOYSA-K. The full InChI is InChI=1S/C45H42N6O15.Eu/c1-22-31(40(52)53)16-37(64-22)25-10-28(46-34(13-25)43(58)59)19-49-4-6-50(20-29-11-26(14-35(47-29)44(60)61)38-17-32(41(54)55)23(2)65-38)8-9-51(7-5-49)21-30-12-27(15-36(48-30)45(62)63)39-18-33(42(56)57)24(3)66-39;/h10-18H,4-9,19-21H2,1-3H3,(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63);/q;+3/p-3.

What are the key properties of 6-[[4-[[6-carboxy-4-(4-carboxylato-5-methylfuran-2-yl)-2-pyridinyl]methyl]-7-[[6-carboxy-4-(4-carboxy-5-methylfuran-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(4-carboxylato-5-methylfuran-2-yl)pyridine-2-carboxylate;europium(3+)?

6-[[4-[[6-carboxy-4-(4-carboxylato-5-methylfuran-2-yl)-2-pyridinyl]methyl]-7-[[6-carboxy-4-(4-carboxy-5-methylfuran-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(4-carboxylato-5-methylfuran-2-yl)pyridine-2-carboxylate;europium(3+) has a molecular weight of 1055.80 g/mol, XLogP of 1.58, 15 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[[6-carboxy-4-(4-carboxylato-5-methylfuran-2-yl)-2-pyridinyl]methyl]-7-[[6-carboxy-4-(4-carboxy-5-methylfuran-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(4-carboxylato-5-methylfuran-2-yl)pyridine-2-carboxylate;europium(3+) is sourced from PubChem (CID 172806601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).