2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol

C20H36O16 — CID 20607164

About 2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 20607164) has the molecular formula C20H36O16 and a molecular weight of 532.49 g/mol. Its IUPAC name is 2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: 2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 20607164
• Molecular Formula: C20H36O16
• Molecular Weight: 532.49 g/mol
• Exact Mass: 532.20
• IUPAC Name: 2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: OCC1OC(COCC2C(CO)OC(OC3(CO)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O
• InChI: InChI=1S/C20H36O16/c21-1-8-7(4-32-5-11-14(27)16(29)13(26)9(2-22)33-11)12(25)17(30)19(34-8)36-20(6-24)18(31)15(28)10(3-23)35-20/h7-19,21-31H,1-6H2
• InChIKey: JQRJHGOSSKLPBX-UHFFFAOYSA-N
• XLogP: -7.28
• TPSA: 268.68 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	532.49
LogP ≤ 5	-7.28
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of 2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 20607164) is 2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for 2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for 2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol is OCC1OC(COCC2C(CO)OC(OC3(CO)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O.

What is the InChIKey of 2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is JQRJHGOSSKLPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O16/c21-1-8-7(4-32-5-11-14(27)16(29)13(26)9(2-22)33-11)12(25)17(30)19(34-8)36-20(6-24)18(31)15(28)10(3-23)35-20/h7-19,21-31H,1-6H2.

What are the key properties of 2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?

2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 532.49 g/mol, XLogP of -7.28, 10 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 20607164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).