5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

C26H28O14 — CID 6454154

About 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one (PubChem CID 6454154) has the molecular formula C26H28O14 and a molecular weight of 564.50 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one.

Molecular Properties

• Compound Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
• PubChem CID: 6454154
• Molecular Formula: C26H28O14
• Molecular Weight: 564.50 g/mol
• Exact Mass: 564.15
• IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
• SMILES: O=c1c(C2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)c([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
• InChI: InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)14-10(29)5-12-15(19(14)33)20(34)16(25-22(36)17(31)11(30)7-38-25)24(39-12)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-33,35-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25?,26+/m0/s1
• InChIKey: RTLSUQPMBBYJGI-SBDXPRCPSA-N
• XLogP: -1.75
• TPSA: 250.97 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	564.50
LogP ≤ 5	-1.75
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one?

The IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one (CID 6454154) is 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one.

What is the SMILES notation for 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one?

The canonical SMILES for 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one is O=c1c(C2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)c([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12.

What is the InChIKey of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one?

The InChIKey is RTLSUQPMBBYJGI-SBDXPRCPSA-N. The full InChI is InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)14-10(29)5-12-15(19(14)33)20(34)16(25-22(36)17(31)11(30)7-38-25)24(39-12)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-33,35-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25?,26+/m0/s1.

What are the key properties of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one?

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one has a molecular weight of 564.50 g/mol, XLogP of -1.75, 4 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one is sourced from PubChem (CID 6454154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).