2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(4-hydroxy-5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-9-yl)oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

C26H34O14 — CID 162863626

About 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(4-hydroxy-5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-9-yl)oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(4-hydroxy-5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-9-yl)oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol (PubChem CID 162863626) has the molecular formula C26H34O14 and a molecular weight of 570.54 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(4-hydroxy-5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-9-yl)oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(4-hydroxy-5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-9-yl)oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
• PubChem CID: 162863626
• Molecular Formula: C26H34O14
• Molecular Weight: 570.54 g/mol
• Exact Mass: 570.19
• IUPAC Name: 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(4-hydroxy-5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-9-yl)oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
• SMILES: COc1cccc2c(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c3c(c(O)c12)C(C)OC3
• InChI: InChI=1S/C26H34O14/c1-9-15-11(7-36-9)24(10-4-3-5-12(35-2)16(10)19(15)30)40-26-23(34)21(32)18(29)14(39-26)8-37-25-22(33)20(31)17(28)13(6-27)38-25/h3-5,9,13-14,17-18,20-23,25-34H,6-8H2,1-2H3
• InChIKey: ZZGCKZTZJVBHHM-UHFFFAOYSA-N
• XLogP: -1.85
• TPSA: 217.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	570.54
LogP ≤ 5	-1.85
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(4-hydroxy-5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-9-yl)oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?

The IUPAC name of 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(4-hydroxy-5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-9-yl)oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol (CID 162863626) is 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(4-hydroxy-5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-9-yl)oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol.

What is the SMILES notation for 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(4-hydroxy-5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-9-yl)oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?

The canonical SMILES for 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(4-hydroxy-5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-9-yl)oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol is COc1cccc2c(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c3c(c(O)c12)C(C)OC3.

What is the InChIKey of 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(4-hydroxy-5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-9-yl)oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?

The InChIKey is ZZGCKZTZJVBHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O14/c1-9-15-11(7-36-9)24(10-4-3-5-12(35-2)16(10)19(15)30)40-26-23(34)21(32)18(29)14(39-26)8-37-25-22(33)20(31)17(28)13(6-27)38-25/h3-5,9,13-14,17-18,20-23,25-34H,6-8H2,1-2H3.

What are the key properties of 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(4-hydroxy-5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-9-yl)oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?

2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(4-hydroxy-5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-9-yl)oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 570.54 g/mol, XLogP of -1.85, 7 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(4-hydroxy-5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-9-yl)oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 162863626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).