(2S)-5,7-dihydroxy-2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,8-dimethyl-2,3-dihydrochromen-4-one

C23H26O11 — CID 10073779

About (2S)-5,7-dihydroxy-2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,8-dimethyl-2,3-dihydrochromen-4-one

(2S)-5,7-dihydroxy-2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,8-dimethyl-2,3-dihydrochromen-4-one (PubChem CID 10073779) has the molecular formula C23H26O11 and a molecular weight of 478.45 g/mol. Its IUPAC name is (2S)-5,7-dihydroxy-2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,8-dimethyl-2,3-dihydrochromen-4-one.

Molecular Properties

• Compound Name: (2S)-5,7-dihydroxy-2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,8-dimethyl-2,3-dihydrochromen-4-one
• PubChem CID: 10073779
• Molecular Formula: C23H26O11
• Molecular Weight: 478.45 g/mol
• Exact Mass: 478.15
• IUPAC Name: (2S)-5,7-dihydroxy-2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,8-dimethyl-2,3-dihydrochromen-4-one
• SMILES: Cc1c(O)c(C)c2c(c1O)C(=O)C[C@@H](c1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2
• InChI: InChI=1S/C23H26O11/c1-8-17(27)9(2)22-16(18(8)28)12(26)6-14(32-22)11-5-10(25)3-4-13(11)33-23-21(31)20(30)19(29)15(7-24)34-23/h3-5,14-15,19-21,23-25,27-31H,6-7H2,1-2H3/t14-,15+,19+,20-,21+,23+/m0/s1
• InChIKey: VOYSOOOEBGYFAP-UZLUQKTDSA-N
• XLogP: 0.31
• TPSA: 186.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	478.45
LogP ≤ 5	0.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2S)-5,7-dihydroxy-2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,8-dimethyl-2,3-dihydrochromen-4-one?

The IUPAC name of (2S)-5,7-dihydroxy-2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,8-dimethyl-2,3-dihydrochromen-4-one (CID 10073779) is (2S)-5,7-dihydroxy-2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,8-dimethyl-2,3-dihydrochromen-4-one.

What is the SMILES notation for (2S)-5,7-dihydroxy-2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,8-dimethyl-2,3-dihydrochromen-4-one?

The canonical SMILES for (2S)-5,7-dihydroxy-2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,8-dimethyl-2,3-dihydrochromen-4-one is Cc1c(O)c(C)c2c(c1O)C(=O)C[C@@H](c1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2.

What is the InChIKey of (2S)-5,7-dihydroxy-2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,8-dimethyl-2,3-dihydrochromen-4-one?

The InChIKey is VOYSOOOEBGYFAP-UZLUQKTDSA-N. The full InChI is InChI=1S/C23H26O11/c1-8-17(27)9(2)22-16(18(8)28)12(26)6-14(32-22)11-5-10(25)3-4-13(11)33-23-21(31)20(30)19(29)15(7-24)34-23/h3-5,14-15,19-21,23-25,27-31H,6-7H2,1-2H3/t14-,15+,19+,20-,21+,23+/m0/s1.

What are the key properties of (2S)-5,7-dihydroxy-2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,8-dimethyl-2,3-dihydrochromen-4-one?

(2S)-5,7-dihydroxy-2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,8-dimethyl-2,3-dihydrochromen-4-one has a molecular weight of 478.45 g/mol, XLogP of 0.31, 4 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-5,7-dihydroxy-2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,8-dimethyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 10073779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).