5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxychromen-4-one

C27H30O14 — CID 162861055

About 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxychromen-4-one

5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxychromen-4-one (PubChem CID 162861055) has the molecular formula C27H30O14 and a molecular weight of 578.52 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxychromen-4-one.

Molecular Properties

• Compound Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxychromen-4-one
• PubChem CID: 162861055
• Molecular Formula: C27H30O14
• Molecular Weight: 578.52 g/mol
• Exact Mass: 578.16
• IUPAC Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxychromen-4-one
• SMILES: CC1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)(C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
• InChI: InChI=1S/C27H30O14/c1-10-20(32)23(35)25(37)27(40-10,26-24(36)22(34)21(33)18(9-28)39-26)41-13-6-14(30)19-15(31)8-16(38-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-26,28-30,32-37H,9H2,1H3
• InChIKey: UNZISCXLEUOIRV-UHFFFAOYSA-N
• XLogP: -1.71
• TPSA: 239.97 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	578.52
LogP ≤ 5	-1.71
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxychromen-4-one?

The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxychromen-4-one (CID 162861055) is 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxychromen-4-one.

What is the SMILES notation for 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxychromen-4-one?

The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxychromen-4-one is CC1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)(C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.

What is the InChIKey of 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxychromen-4-one?

The InChIKey is UNZISCXLEUOIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O14/c1-10-20(32)23(35)25(37)27(40-10,26-24(36)22(34)21(33)18(9-28)39-26)41-13-6-14(30)19-15(31)8-16(38-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-26,28-30,32-37H,9H2,1H3.

What are the key properties of 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxychromen-4-one?

5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxychromen-4-one has a molecular weight of 578.52 g/mol, XLogP of -1.71, 5 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxan-2-yl]oxychromen-4-one is sourced from PubChem (CID 162861055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).