potassium;cobalt(2+);tris((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate);heptakis((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid)

C60H97CoKO70 — CID 161254987

About potassium;cobalt(2+);tris((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate);heptakis((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid)

potassium;cobalt(2+);tris((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate);heptakis((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid) (PubChem CID 161254987) has the molecular formula C60H97CoKO70 and a molecular weight of 2036.40 g/mol. Its IUPAC name is potassium;cobalt(2+);tris((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate);heptakis((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid).

Molecular Properties

• Compound Name: potassium;cobalt(2+);tris((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate);heptakis((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid)
• PubChem CID: 161254987
• Molecular Formula: C60H97CoKO70
• Molecular Weight: 2036.40 g/mol
• Exact Mass: 2035.30
• IUPAC Name: potassium;cobalt(2+);tris((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate);heptakis((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid)
• SMILES: O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].[Co+2].[K+]
• InChI: InChI=1S/10C6H10O7.Co.K/c10*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h10*1-5,8-11H,(H,12,13);;/q;;;;;;;;;;+2;+1/p-3/t10*2-,3+,4+,5-;;/m0000000000../s1
• InChIKey: VBUDEXQGIVRWPV-SQSKPOSDSA-K
• XLogP: -39.87
• TPSA: 1361.39 Ų
• H-Bond Donors: 47
• H-Bond Acceptors: 63
• Rotatable Bonds: 50
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2036.40
LogP ≤ 5	-39.87
H-Bond Donors ≤ 5	47
H-Bond Acceptors ≤ 10	63

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;cobalt(2+);tris((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate);heptakis((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid)?

The IUPAC name of potassium;cobalt(2+);tris((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate);heptakis((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid) (CID 161254987) is potassium;cobalt(2+);tris((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate);heptakis((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid).

What is the SMILES notation for potassium;cobalt(2+);tris((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate);heptakis((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid)?

The canonical SMILES for potassium;cobalt(2+);tris((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate);heptakis((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid) is O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].[Co+2].[K+].

What is the InChIKey of potassium;cobalt(2+);tris((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate);heptakis((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid)?

The InChIKey is VBUDEXQGIVRWPV-SQSKPOSDSA-K. The full InChI is InChI=1S/10C6H10O7.Co.K/c10*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h10*1-5,8-11H,(H,12,13);;/q;;;;;;;;;;+2;+1/p-3/t10*2-,3+,4+,5-;;/m0000000000../s1.

What are the key properties of potassium;cobalt(2+);tris((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate);heptakis((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid)?

potassium;cobalt(2+);tris((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate);heptakis((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid) has a molecular weight of 2036.40 g/mol, XLogP of -39.87, 50 rotatable bonds, 47 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;cobalt(2+);tris((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate);heptakis((2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid) is sourced from PubChem (CID 161254987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).