bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate

C58H57AuO7P4 — CID 173374442

About bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate

bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate (PubChem CID 173374442) has the molecular formula C58H57AuO7P4 and a molecular weight of 1186.95 g/mol. Its IUPAC name is bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate.

Molecular Properties

• Compound Name: bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate
• PubChem CID: 173374442
• Molecular Formula: C58H57AuO7P4
• Molecular Weight: 1186.95 g/mol
• Exact Mass: 1186.27
• IUPAC Name: bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate
• SMILES: O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-].[Au+].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C26H24P2.C6H10O7.Au/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*1-20H,21-22H2;1-5,8-11H,(H,12,13);/q;;;+1/p-1/t;;2-,3+,4-,5-;/m..0./s1
• InChIKey: QQQGEYFWQPWRJK-QWYSJOMPSA-M
• XLogP: 5.88
• TPSA: 138.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1186.95
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate?

The IUPAC name of bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate (CID 173374442) is bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate.

What is the SMILES notation for bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate?

The canonical SMILES for bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate is O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-].[Au+].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate?

The InChIKey is QQQGEYFWQPWRJK-QWYSJOMPSA-M. The full InChI is InChI=1S/2C26H24P2.C6H10O7.Au/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*1-20H,21-22H2;1-5,8-11H,(H,12,13);/q;;;+1/p-1/t;;2-,3+,4-,5-;/m..0./s1.

What are the key properties of bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate?

bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate has a molecular weight of 1186.95 g/mol, XLogP of 5.88, 19 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate is sourced from PubChem (CID 173374442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).