[(1R,2R)-2-azanidylcyclohexyl]azanide;oxalic acid;bis(4-oxo-4-[[(4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid);platinum(2+)

C46H70N2O20Pt — CID 170453373

About [(1R,2R)-2-azanidylcyclohexyl]azanide;oxalic acid;bis(4-oxo-4-[[(4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid);platinum(2+)

[(1R,2R)-2-azanidylcyclohexyl]azanide;oxalic acid;bis(4-oxo-4-[[(4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid);platinum(2+) (PubChem CID 170453373) has the molecular formula C46H70N2O20Pt and a molecular weight of 1166.14 g/mol. Its IUPAC name is [(1R,2R)-2-azanidylcyclohexyl]azanide;oxalic acid;bis(4-oxo-4-[[(4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid);platinum(2+).

Molecular Properties

• Compound Name: [(1R,2R)-2-azanidylcyclohexyl]azanide;oxalic acid;bis(4-oxo-4-[[(4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid);platinum(2+)
• PubChem CID: 170453373
• Molecular Formula: C46H70N2O20Pt
• Molecular Weight: 1166.14 g/mol
• Exact Mass: 1165.42
• IUPAC Name: [(1R,2R)-2-azanidylcyclohexyl]azanide;oxalic acid;bis(4-oxo-4-[[(4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid);platinum(2+)
• SMILES: C[C@H]1[C@@H](OC(=O)CCC(=O)O)O[C@@H]2OC3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3.C[C@H]1[C@@H](OC(=O)CCC(=O)O)O[C@@H]2OC3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3.O=C(O)C(=O)O.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+2]
• InChI: InChI=1S/2C19H28O8.C6H12N2.C2H2O4.Pt/c2*1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19;7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h2*10-13,16-17H,4-9H2,1-3H3,(H,20,21);5-8H,1-4H2;(H,3,4)(H,5,6);/q;;-2;;+2/t2*10-,11-,12+,13+,16+,17-,18?,19-;5-,6-;;/m111../s1
• InChIKey: GAQVAMJQDZFXNP-UUGSLLJUSA-N
• XLogP: 6.76
• TPSA: 323.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1166.14
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-azanidylcyclohexyl]azanide;oxalic acid;bis(4-oxo-4-[[(4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid);platinum(2+)?

The IUPAC name of [(1R,2R)-2-azanidylcyclohexyl]azanide;oxalic acid;bis(4-oxo-4-[[(4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid);platinum(2+) (CID 170453373) is [(1R,2R)-2-azanidylcyclohexyl]azanide;oxalic acid;bis(4-oxo-4-[[(4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid);platinum(2+).

What is the SMILES notation for [(1R,2R)-2-azanidylcyclohexyl]azanide;oxalic acid;bis(4-oxo-4-[[(4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid);platinum(2+)?

The canonical SMILES for [(1R,2R)-2-azanidylcyclohexyl]azanide;oxalic acid;bis(4-oxo-4-[[(4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid);platinum(2+) is C[C@H]1[C@@H](OC(=O)CCC(=O)O)O[C@@H]2OC3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3.C[C@H]1[C@@H](OC(=O)CCC(=O)O)O[C@@H]2OC3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3.O=C(O)C(=O)O.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+2].

What is the InChIKey of [(1R,2R)-2-azanidylcyclohexyl]azanide;oxalic acid;bis(4-oxo-4-[[(4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid);platinum(2+)?

The InChIKey is GAQVAMJQDZFXNP-UUGSLLJUSA-N. The full InChI is InChI=1S/2C19H28O8.C6H12N2.C2H2O4.Pt/c2*1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19;7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h2*10-13,16-17H,4-9H2,1-3H3,(H,20,21);5-8H,1-4H2;(H,3,4)(H,5,6);/q;;-2;;+2/t2*10-,11-,12+,13+,16+,17-,18?,19-;5-,6-;;/m111../s1.

What are the key properties of [(1R,2R)-2-azanidylcyclohexyl]azanide;oxalic acid;bis(4-oxo-4-[[(4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid);platinum(2+)?

[(1R,2R)-2-azanidylcyclohexyl]azanide;oxalic acid;bis(4-oxo-4-[[(4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid);platinum(2+) has a molecular weight of 1166.14 g/mol, XLogP of 6.76, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2R)-2-azanidylcyclohexyl]azanide;oxalic acid;bis(4-oxo-4-[[(4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid);platinum(2+) is sourced from PubChem (CID 170453373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).