tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-))

C72H140O20Os-8 — CID 173309325

About tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-))

tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-)) (PubChem CID 173309325) has the molecular formula C72H140O20Os-8 and a molecular weight of 1516.12 g/mol. Its IUPAC name is tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-)).

Molecular Properties

• Compound Name: tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-))
• PubChem CID: 173309325
• Molecular Formula: C72H140O20Os-8
• Molecular Weight: 1516.12 g/mol
• Exact Mass: 1516.96
• IUPAC Name: tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-))
• SMILES: CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-].CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCC(=O)[O-].[O-2].[O-2].[O-2].[O-2].[Os+4]
• InChI: InChI=1S/4C18H36O4.4O.Os/c4*1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;;;;;/h4*16-17,19-20H,2-15H2,1H3,(H,21,22);;;;;/q;;;;4*-2;+4/p-4/t16-,17+;;;;;;;;/m1......../s1
• InChIKey: FFXRCUVQZOCFST-OIRWPVMBSA-J
• XLogP: 11.28
• TPSA: 436.36 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 64
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1516.12
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-))?

The IUPAC name of tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-)) (CID 173309325) is tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-)).

What is the SMILES notation for tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-))?

The canonical SMILES for tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-)) is CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-].CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCC(=O)[O-].[O-2].[O-2].[O-2].[O-2].[Os+4].

What is the InChIKey of tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-))?

The InChIKey is FFXRCUVQZOCFST-OIRWPVMBSA-J. The full InChI is InChI=1S/4C18H36O4.4O.Os/c4*1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;;;;;/h4*16-17,19-20H,2-15H2,1H3,(H,21,22);;;;;/q;;;;4*-2;+4/p-4/t16-,17+;;;;;;;;/m1......../s1.

What are the key properties of tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-))?

tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-)) has a molecular weight of 1516.12 g/mol, XLogP of 11.28, 64 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-)) is sourced from PubChem (CID 173309325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).