5-[3-[2,4-dihydroxy-5-(3-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]propa-1,2-dienyl]-6-hydroxy-1-(3-hydroxyphenyl)pyrimidine-2,4-dione

C24H17N3O8 — CID 91136465

About 5-[3-[2,4-dihydroxy-5-(3-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]propa-1,2-dienyl]-6-hydroxy-1-(3-hydroxyphenyl)pyrimidine-2,4-dione

5-[3-[2,4-dihydroxy-5-(3-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]propa-1,2-dienyl]-6-hydroxy-1-(3-hydroxyphenyl)pyrimidine-2,4-dione (PubChem CID 91136465) has the molecular formula C24H17N3O8 and a molecular weight of 475.41 g/mol. Its IUPAC name is 5-[3-[2,4-dihydroxy-5-(3-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]propa-1,2-dienyl]-6-hydroxy-1-(3-hydroxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[3-[2,4-dihydroxy-5-(3-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]propa-1,2-dienyl]-6-hydroxy-1-(3-hydroxyphenyl)pyrimidine-2,4-dione
• PubChem CID: 91136465
• Molecular Formula: C24H17N3O8
• Molecular Weight: 475.41 g/mol
• Exact Mass: 475.10
• IUPAC Name: 5-[3-[2,4-dihydroxy-5-(3-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]propa-1,2-dienyl]-6-hydroxy-1-(3-hydroxyphenyl)pyrimidine-2,4-dione
• SMILES: O=c1[nH]c(=O)n(-c2cccc(O)c2)c(O)c1C=C=Cc1c(O)[nH]c(=O)c(-c2cccc(O)c2)c1O
• InChI: InChI=1S/C24H17N3O8/c28-14-6-1-4-12(10-14)18-19(30)16(20(31)25-22(18)33)8-3-9-17-21(32)26-24(35)27(23(17)34)13-5-2-7-15(29)11-13/h1-2,4-11,28-29,34H,(H,26,32,35)(H3,25,30,31,33)
• InChIKey: MGSFGSIFTYGKMI-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 188.87 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.41
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2,4-dihydroxy-5-(3-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]propa-1,2-dienyl]-6-hydroxy-1-(3-hydroxyphenyl)pyrimidine-2,4-dione?

The IUPAC name of 5-[3-[2,4-dihydroxy-5-(3-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]propa-1,2-dienyl]-6-hydroxy-1-(3-hydroxyphenyl)pyrimidine-2,4-dione (CID 91136465) is 5-[3-[2,4-dihydroxy-5-(3-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]propa-1,2-dienyl]-6-hydroxy-1-(3-hydroxyphenyl)pyrimidine-2,4-dione.

What is the SMILES notation for 5-[3-[2,4-dihydroxy-5-(3-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]propa-1,2-dienyl]-6-hydroxy-1-(3-hydroxyphenyl)pyrimidine-2,4-dione?

The canonical SMILES for 5-[3-[2,4-dihydroxy-5-(3-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]propa-1,2-dienyl]-6-hydroxy-1-(3-hydroxyphenyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2cccc(O)c2)c(O)c1C=C=Cc1c(O)[nH]c(=O)c(-c2cccc(O)c2)c1O.

What is the InChIKey of 5-[3-[2,4-dihydroxy-5-(3-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]propa-1,2-dienyl]-6-hydroxy-1-(3-hydroxyphenyl)pyrimidine-2,4-dione?

The InChIKey is MGSFGSIFTYGKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O8/c28-14-6-1-4-12(10-14)18-19(30)16(20(31)25-22(18)33)8-3-9-17-21(32)26-24(35)27(23(17)34)13-5-2-7-15(29)11-13/h1-2,4-11,28-29,34H,(H,26,32,35)(H3,25,30,31,33).

What are the key properties of 5-[3-[2,4-dihydroxy-5-(3-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]propa-1,2-dienyl]-6-hydroxy-1-(3-hydroxyphenyl)pyrimidine-2,4-dione?

5-[3-[2,4-dihydroxy-5-(3-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]propa-1,2-dienyl]-6-hydroxy-1-(3-hydroxyphenyl)pyrimidine-2,4-dione has a molecular weight of 475.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[2,4-dihydroxy-5-(3-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]propa-1,2-dienyl]-6-hydroxy-1-(3-hydroxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 91136465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).