gold(3+);1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide;1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide

C47H76AuN4O9+ — CID 164831412

About gold(3+);1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide;1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide

gold(3+);1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide;1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide (PubChem CID 164831412) has the molecular formula C47H76AuN4O9+ and a molecular weight of 1038.11 g/mol. Its IUPAC name is gold(3+);1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide;1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide.

Molecular Properties

• Compound Name: gold(3+);1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide;1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide
• PubChem CID: 164831412
• Molecular Formula: C47H76AuN4O9+
• Molecular Weight: 1038.11 g/mol
• Exact Mass: 1037.53
• IUPAC Name: gold(3+);1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide;1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide
• SMILES: C[C@H]1[C@@H](OCCCCN2C=CN(C)[CH-]2)O[C@@H]2CC3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3.C[C@H]1[C@@H](OCCCCN2C=CN(C)[CH-]2)O[C@@H]2OC3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3.[Au+3]
• InChI: InChI=1S/C24H39N2O4.C23H37N2O5.Au/c1-17-7-8-20-18(2)22(27-14-6-5-11-26-13-12-25(4)16-26)28-21-15-23(3)10-9-19(17)24(20,21)30-29-23;1-16-7-8-19-17(2)20(26-14-6-5-11-25-13-12-24(4)15-25)27-21-23(19)18(16)9-10-22(3,28-21)29-30-23;/h12-13,16-22H,5-11,14-15H2,1-4H3;12-13,15-21H,5-11,14H2,1-4H3;/q2*-1;+3/t17-,18-,19+,20+,21-,22+,23?,24-;16-,17-,18+,19+,20+,21-,22?,23-;/m11./s1
• InChIKey: NTSHYJCHEQTADJ-RYVIMEGISA-N
• XLogP: 8.11
• TPSA: 96.03 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1038.11
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of gold(3+);1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide;1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide?

The IUPAC name of gold(3+);1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide;1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide (CID 164831412) is gold(3+);1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide;1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide.

What is the SMILES notation for gold(3+);1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide;1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide?

The canonical SMILES for gold(3+);1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide;1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide is C[C@H]1[C@@H](OCCCCN2C=CN(C)[CH-]2)O[C@@H]2CC3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3.C[C@H]1[C@@H](OCCCCN2C=CN(C)[CH-]2)O[C@@H]2OC3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3.[Au+3].

What is the InChIKey of gold(3+);1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide;1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide?

The InChIKey is NTSHYJCHEQTADJ-RYVIMEGISA-N. The full InChI is InChI=1S/C24H39N2O4.C23H37N2O5.Au/c1-17-7-8-20-18(2)22(27-14-6-5-11-26-13-12-25(4)16-26)28-21-15-23(3)10-9-19(17)24(20,21)30-29-23;1-16-7-8-19-17(2)20(26-14-6-5-11-25-13-12-24(4)15-25)27-21-23(19)18(16)9-10-22(3,28-21)29-30-23;/h12-13,16-22H,5-11,14-15H2,1-4H3;12-13,15-21H,5-11,14H2,1-4H3;/q2*-1;+3/t17-,18-,19+,20+,21-,22+,23?,24-;16-,17-,18+,19+,20+,21-,22?,23-;/m11./s1.

What are the key properties of gold(3+);1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide;1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide?

gold(3+);1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide;1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide has a molecular weight of 1038.11 g/mol, XLogP of 8.11, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for gold(3+);1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide;1-methyl-3-[4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butyl]-2H-imidazol-2-ide is sourced from PubChem (CID 164831412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).