3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3-hydroxypyrrolidine-2,5-dione

C₂₄H₁₇NO₈ — CID 67448179

About 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3-hydroxypyrrolidine-2,5-dione

3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3-hydroxypyrrolidine-2,5-dione (PubChem CID 67448179) has the molecular formula C₂₄H₁₇NO₈ and a molecular weight of 447.40 g/mol. Its IUPAC name is 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3-hydroxypyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3-hydroxypyrrolidine-2,5-dione
• PubChem CID: 67448179
• Molecular Formula: C₂₄H₁₇NO₈
• Molecular Weight: 447.40 g/mol
• Exact Mass: 447.10
• IUPAC Name: 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3-hydroxypyrrolidine-2,5-dione
• SMILES: O=C1CC(O)C(=O)N1.O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21
• InChI: InChI=1S/C20H12O5.C4H5NO3/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;6-2-1-3(7)5-4(2)8/h1-10,21-22H;2,6H,1H2,(H,5,7,8)
• InChIKey: KJGXTDAMKXGWSX-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 142.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.40
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3-hydroxypyrrolidine-2,5-dione?

The IUPAC name of 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3-hydroxypyrrolidine-2,5-dione (CID 67448179) is 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3-hydroxypyrrolidine-2,5-dione.

What is the SMILES notation for 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3-hydroxypyrrolidine-2,5-dione?

The canonical SMILES for 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3-hydroxypyrrolidine-2,5-dione is O=C1CC(O)C(=O)N1.O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21.

What is the InChIKey of 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3-hydroxypyrrolidine-2,5-dione?

The InChIKey is KJGXTDAMKXGWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O5.C4H5NO3/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;6-2-1-3(7)5-4(2)8/h1-10,21-22H;2,6H,1H2,(H,5,7,8).

What are the key properties of 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3-hydroxypyrrolidine-2,5-dione?

3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3-hydroxypyrrolidine-2,5-dione has a molecular weight of 447.40 g/mol, XLogP of 2.06, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 67448179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 67448179 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.