(Z)-4-hydroxypent-3-en-2-one;[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum

C24H24NO4PtS- — CID 58401559

About (Z)-4-hydroxypent-3-en-2-one;[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum

(Z)-4-hydroxypent-3-en-2-one;[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum (PubChem CID 58401559) has the molecular formula C24H24NO4PtS- and a molecular weight of 617.60 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum.

Molecular Properties

• Compound Name: (Z)-4-hydroxypent-3-en-2-one;[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum
• PubChem CID: 58401559
• Molecular Formula: C24H24NO4PtS-
• Molecular Weight: 617.60 g/mol
• Exact Mass: 617.11
• IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum
• SMILES: CC(=O)/C=C(/C)O.COc1c[c-]c(-c2cc(Sc3ccccc3)ccn2)c(CO)c1.[Pt]
• InChI: InChI=1S/C19H16NO2S.C5H8O2.Pt/c1-22-15-7-8-18(14(11-15)13-21)19-12-17(9-10-20-19)23-16-5-3-2-4-6-16;1-4(6)3-5(2)7;/h2-7,9-12,21H,13H2,1H3;3,6H,1-2H3;/q-1;;/b;4-3-
• InChIKey: BBFUCVOFAHPQQR-LWFKIUJUSA-N
• XLogP: 5.24
• TPSA: 79.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.60
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum?

The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum (CID 58401559) is (Z)-4-hydroxypent-3-en-2-one;[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum.

What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum?

The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum is CC(=O)/C=C(/C)O.COc1c[c-]c(-c2cc(Sc3ccccc3)ccn2)c(CO)c1.[Pt].

What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum?

The InChIKey is BBFUCVOFAHPQQR-LWFKIUJUSA-N. The full InChI is InChI=1S/C19H16NO2S.C5H8O2.Pt/c1-22-15-7-8-18(14(11-15)13-21)19-12-17(9-10-20-19)23-16-5-3-2-4-6-16;1-4(6)3-5(2)7;/h2-7,9-12,21H,13H2,1H3;3,6H,1-2H3;/q-1;;/b;4-3-;.

What are the key properties of (Z)-4-hydroxypent-3-en-2-one;[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum?

(Z)-4-hydroxypent-3-en-2-one;[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum has a molecular weight of 617.60 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-4-hydroxypent-3-en-2-one;[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum is sourced from PubChem (CID 58401559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).