bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate

C53H81N5O24Pt2 — CID 158809654

About bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate

bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate (PubChem CID 158809654) has the molecular formula C53H81N5O24Pt2 and a molecular weight of 1562.40 g/mol. Its IUPAC name is bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate.

Molecular Properties

• Compound Name: bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate
• PubChem CID: 158809654
• Molecular Formula: C53H81N5O24Pt2
• Molecular Weight: 1562.40 g/mol
• Exact Mass: 1561.46
• IUPAC Name: bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate
• SMILES: CC(C)COC(=O)OC(=O)CCCCCN1C(=O)C=CC1=O.O.O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)CCCCCN1C(=O)C=CC1=O.O=C(O)CCCCCN1C(=O)C=CC1=O.[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[Pt+2].[Pt+2]
• InChI: InChI=1S/C15H21NO6.2C10H13NO4.2C7H13N.2C2H2O4.2H2O.2Pt/c1-11(2)10-21-15(20)22-14(19)6-4-3-5-9-16-12(17)7-8-13(16)18;2*12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;2*1-6-4-2-3-5-7(6)8;2*3-1(4)2(5)6;;;;/h7-8,11H,3-6,9-10H2,1-2H3;2*5-6H,1-4,7H2,(H,14,15);2*6-8H,1-5H2;2*(H,3,4)(H,5,6);2*1H2;;/q;;;2*-2;;;;;2*+2/t;;;2*6-,7-;;;;;;/m...11....../s1
• InChIKey: VIBSAEUTQSKRJT-GKXASHLJSA-N
• XLogP: 4.44
• TPSA: 499.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1562.40
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate?

The IUPAC name of bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate (CID 158809654) is bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate.

What is the SMILES notation for bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate?

The canonical SMILES for bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate is CC(C)COC(=O)OC(=O)CCCCCN1C(=O)C=CC1=O.O.O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)CCCCCN1C(=O)C=CC1=O.O=C(O)CCCCCN1C(=O)C=CC1=O.[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[Pt+2].[Pt+2].

What is the InChIKey of bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate?

The InChIKey is VIBSAEUTQSKRJT-GKXASHLJSA-N. The full InChI is InChI=1S/C15H21NO6.2C10H13NO4.2C7H13N.2C2H2O4.2H2O.2Pt/c1-11(2)10-21-15(20)22-14(19)6-4-3-5-9-16-12(17)7-8-13(16)18;2*12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;2*1-6-4-2-3-5-7(6)8;2*3-1(4)2(5)6;;;;/h7-8,11H,3-6,9-10H2,1-2H3;2*5-6H,1-4,7H2,(H,14,15);2*6-8H,1-5H2;2*(H,3,4)(H,5,6);2*1H2;;/q;;;2*-2;;;;;2*+2/t;;;2*6-,7-;;;;;;/m...11....../s1.

What are the key properties of bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate?

bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate has a molecular weight of 1562.40 g/mol, XLogP of 4.44, 20 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate is sourced from PubChem (CID 158809654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).