[2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum

C20H24NO6Pt- — CID 58401761

About [2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum

[2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum (PubChem CID 58401761) has the molecular formula C20H24NO6Pt- and a molecular weight of 569.49 g/mol. Its IUPAC name is [2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum.

Molecular Properties

• Compound Name: [2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum
• PubChem CID: 58401761
• Molecular Formula: C20H24NO6Pt-
• Molecular Weight: 569.49 g/mol
• Exact Mass: 569.13
• IUPAC Name: [2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum
• SMILES: CC(=O)/C=C(/C)O.COc1[c-]c(-c2cc(CO)ccn2)c(CO)cc1OC.[Pt]
• InChI: InChI=1S/C15H16NO4.C5H8O2.Pt/c1-19-14-6-11(9-18)12(7-15(14)20-2)13-5-10(8-17)3-4-16-13;1-4(6)3-5(2)7;/h3-6,17-18H,8-9H2,1-2H3;3,6H,1-2H3;/q-1;;/b;4-3-
• InChIKey: HQFSZSRAVCMXSF-LWFKIUJUSA-N
• XLogP: 2.59
• TPSA: 109.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.49
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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 [2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum?

The IUPAC name of [2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum (CID 58401761) is [2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum.

What is the SMILES notation for [2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum?

The canonical SMILES for [2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum is CC(=O)/C=C(/C)O.COc1[c-]c(-c2cc(CO)ccn2)c(CO)cc1OC.[Pt].

What is the InChIKey of [2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum?

The InChIKey is HQFSZSRAVCMXSF-LWFKIUJUSA-N. The full InChI is InChI=1S/C15H16NO4.C5H8O2.Pt/c1-19-14-6-11(9-18)12(7-15(14)20-2)13-5-10(8-17)3-4-16-13;1-4(6)3-5(2)7;/h3-6,17-18H,8-9H2,1-2H3;3,6H,1-2H3;/q-1;;/b;4-3-;.

What are the key properties of [2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum?

[2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum has a molecular weight of 569.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum is sourced from PubChem (CID 58401761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).