gold(3+);1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide;1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide

C45H72AuN4O9+ — CID 164831399

About gold(3+);1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide;1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide

gold(3+);1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide;1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide (PubChem CID 164831399) has the molecular formula C45H72AuN4O9+ and a molecular weight of 1010.06 g/mol. Its IUPAC name is gold(3+);1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide;1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide.

Molecular Properties

• Compound Name: gold(3+);1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide;1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide
• PubChem CID: 164831399
• Molecular Formula: C45H72AuN4O9+
• Molecular Weight: 1010.06 g/mol
• Exact Mass: 1009.50
• IUPAC Name: gold(3+);1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide;1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide
• SMILES: C[C@H]1[C@@H](OCCCN2C=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](OCCCN2C=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/C23H37N2O4.C22H35N2O5.Au/c1-16-6-7-19-17(2)21(26-13-5-10-25-12-11-24(4)15-25)27-20-14-22(3)9-8-18(16)23(19,20)29-28-22;1-15-6-7-18-16(2)19(25-13-5-10-24-12-11-23(4)14-24)26-20-22(18)17(15)8-9-21(3,27-20)28-29-22;/h11-12,15-21H,5-10,13-14H2,1-4H3;11-12,14-20H,5-10,13H2,1-4H3;/q2*-1;+3/t16-,17-,18+,19+,20-,21+,22?,23-;15-,16-,17+,18+,19+,20-,21?,22-;/m11./s1
• InChIKey: NIVFOVRTMKSBFE-IKSUSMOWSA-N
• XLogP: 7.33
• TPSA: 96.03 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1010.06
LogP ≤ 5	7.33
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-[3-[[(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]propyl]-2H-imidazol-2-ide;1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide?

The IUPAC name of gold(3+);1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide;1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide (CID 164831399) is gold(3+);1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide;1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide.

What is the SMILES notation for gold(3+);1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide;1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide?

The canonical SMILES for gold(3+);1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide;1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide is C[C@H]1[C@@H](OCCCN2C=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](OCCCN2C=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-[3-[[(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]propyl]-2H-imidazol-2-ide;1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide?

The InChIKey is NIVFOVRTMKSBFE-IKSUSMOWSA-N. The full InChI is InChI=1S/C23H37N2O4.C22H35N2O5.Au/c1-16-6-7-19-17(2)21(26-13-5-10-25-12-11-24(4)15-25)27-20-14-22(3)9-8-18(16)23(19,20)29-28-22;1-15-6-7-18-16(2)19(25-13-5-10-24-12-11-23(4)14-24)26-20-22(18)17(15)8-9-21(3,27-20)28-29-22;/h11-12,15-21H,5-10,13-14H2,1-4H3;11-12,14-20H,5-10,13H2,1-4H3;/q2*-1;+3/t16-,17-,18+,19+,20-,21+,22?,23-;15-,16-,17+,18+,19+,20-,21?,22-;/m11./s1.

What are the key properties of gold(3+);1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide;1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide?

gold(3+);1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide;1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide has a molecular weight of 1010.06 g/mol, XLogP of 7.33, 10 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-[3-[[(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]propyl]-2H-imidazol-2-ide;1-methyl-3-[3-[[(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]propyl]-2H-imidazol-2-ide is sourced from PubChem (CID 164831399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).