cyclohexane-1,2-diamine;2-hydroxy-5-piperidin-1-ylpentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;platinum(2+)

C22H41N3O10Pt+2 — CID 71603960

About cyclohexane-1,2-diamine;2-hydroxy-5-piperidin-1-ylpentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;platinum(2+)

cyclohexane-1,2-diamine;2-hydroxy-5-piperidin-1-ylpentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;platinum(2+) (PubChem CID 71603960) has the molecular formula C22H41N3O10Pt+2 and a molecular weight of 702.66 g/mol. Its IUPAC name is cyclohexane-1,2-diamine;2-hydroxy-5-piperidin-1-ylpentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;platinum(2+).

Molecular Properties

• Compound Name: cyclohexane-1,2-diamine;2-hydroxy-5-piperidin-1-ylpentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;platinum(2+)
• PubChem CID: 71603960
• Molecular Formula: C22H41N3O10Pt+2
• Molecular Weight: 702.66 g/mol
• Exact Mass: 702.24
• IUPAC Name: cyclohexane-1,2-diamine;2-hydroxy-5-piperidin-1-ylpentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;platinum(2+)
• SMILES: NC1CCCCC1N.O=C(O)C(O)CCCN1CCCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Pt+2]
• InChI: InChI=1S/C10H19NO3.C6H14N2.C6H8O7.Pt/c12-9(10(13)14)5-4-8-11-6-2-1-3-7-11;7-5-3-1-2-4-6(5)8;7-3(8)1-6(13,5(11)12)2-4(9)10;/h9,12H,1-8H2,(H,13,14);5-6H,1-4,7-8H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;;+2
• InChIKey: FBLWMRAMCCXXDL-UHFFFAOYSA-N
• XLogP: -0.34
• TPSA: 244.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.66
LogP ≤ 5	-0.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2-diamine;2-hydroxy-5-piperidin-1-ylpentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;platinum(2+)?

The IUPAC name of cyclohexane-1,2-diamine;2-hydroxy-5-piperidin-1-ylpentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;platinum(2+) (CID 71603960) is cyclohexane-1,2-diamine;2-hydroxy-5-piperidin-1-ylpentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;platinum(2+).

What is the SMILES notation for cyclohexane-1,2-diamine;2-hydroxy-5-piperidin-1-ylpentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;platinum(2+)?

The canonical SMILES for cyclohexane-1,2-diamine;2-hydroxy-5-piperidin-1-ylpentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;platinum(2+) is NC1CCCCC1N.O=C(O)C(O)CCCN1CCCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Pt+2].

What is the InChIKey of cyclohexane-1,2-diamine;2-hydroxy-5-piperidin-1-ylpentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;platinum(2+)?

The InChIKey is FBLWMRAMCCXXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C6H14N2.C6H8O7.Pt/c12-9(10(13)14)5-4-8-11-6-2-1-3-7-11;7-5-3-1-2-4-6(5)8;7-3(8)1-6(13,5(11)12)2-4(9)10;/h9,12H,1-8H2,(H,13,14);5-6H,1-4,7-8H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;;+2.

What are the key properties of cyclohexane-1,2-diamine;2-hydroxy-5-piperidin-1-ylpentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;platinum(2+)?

cyclohexane-1,2-diamine;2-hydroxy-5-piperidin-1-ylpentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;platinum(2+) has a molecular weight of 702.66 g/mol, XLogP of -0.34, 10 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexane-1,2-diamine;2-hydroxy-5-piperidin-1-ylpentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;platinum(2+) is sourced from PubChem (CID 71603960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).