2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol

C24H30O10 — CID 123302128

About 2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol (PubChem CID 123302128) has the molecular formula C24H30O10 and a molecular weight of 478.49 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: 2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol
• PubChem CID: 123302128
• Molecular Formula: C24H30O10
• Molecular Weight: 478.49 g/mol
• Exact Mass: 478.18
• IUPAC Name: 2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol
• SMILES: OCC1OC(c2ccc(-c3ccc(C4OC(CO)C(O)C(O)C4O)cc3)cc2)C(O)C(O)C1O
• InChI: InChI=1S/C24H30O10/c25-9-15-17(27)19(29)21(31)23(33-15)13-5-1-11(2-6-13)12-3-7-14(8-4-12)24-22(32)20(30)18(28)16(10-26)34-24/h1-8,15-32H,9-10H2
• InChIKey: LGDSKJXBSPLARM-UHFFFAOYSA-N
• XLogP: -1.62
• TPSA: 180.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.49
LogP ≤ 5	-1.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol?

The IUPAC name of 2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol (CID 123302128) is 2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol.

What is the SMILES notation for 2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol?

The canonical SMILES for 2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol is OCC1OC(c2ccc(-c3ccc(C4OC(CO)C(O)C(O)C4O)cc3)cc2)C(O)C(O)C1O.

What is the InChIKey of 2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol?

The InChIKey is LGDSKJXBSPLARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O10/c25-9-15-17(27)19(29)21(31)23(33-15)13-5-1-11(2-6-13)12-3-7-14(8-4-12)24-22(32)20(30)18(28)16(10-26)34-24/h1-8,15-32H,9-10H2.

What are the key properties of 2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol?

2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol has a molecular weight of 478.49 g/mol, XLogP of -1.62, 5 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol is sourced from PubChem (CID 123302128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).