2-(4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-6-ethyl-5-[5-(6-ethyl-3,4-dihydroxyoxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4-diol;ethane

C28H52O17 — CID 160812861

About 2-(4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-6-ethyl-5-[5-(6-ethyl-3,4-dihydroxyoxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4-diol;ethane

2-(4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-6-ethyl-5-[5-(6-ethyl-3,4-dihydroxyoxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4-diol;ethane (PubChem CID 160812861) has the molecular formula C28H52O17 and a molecular weight of 660.71 g/mol. Its IUPAC name is 2-(4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-6-ethyl-5-[5-(6-ethyl-3,4-dihydroxyoxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4-diol;ethane.

Molecular Properties

• Compound Name: 2-(4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-6-ethyl-5-[5-(6-ethyl-3,4-dihydroxyoxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4-diol;ethane
• PubChem CID: 160812861
• Molecular Formula: C28H52O17
• Molecular Weight: 660.71 g/mol
• Exact Mass: 660.32
• IUPAC Name: 2-(4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-6-ethyl-5-[5-(6-ethyl-3,4-dihydroxyoxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4-diol;ethane
• SMILES: CC.CCC1CC(O)C(O)C(OC2C(CO)OC(OC3C(CC)OC(OC4COC(OC)C(O)C4O)C(O)C3O)C(O)C2O)O1
• InChI: InChI=1S/C26H46O17.C2H6/c1-4-9-6-10(28)14(29)24(38-9)43-22-12(7-27)40-26(20(35)17(22)32)42-21-11(5-2)39-25(19(34)16(21)31)41-13-8-37-23(36-3)18(33)15(13)30;1-2/h9-35H,4-8H2,1-3H3;1-2H3
• InChIKey: SENHUNSRWLZLKB-UHFFFAOYSA-N
• XLogP: -3.56
• TPSA: 255.91 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	660.71
LogP ≤ 5	-3.56
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-6-ethyl-5-[5-(6-ethyl-3,4-dihydroxyoxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4-diol;ethane?

The IUPAC name of 2-(4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-6-ethyl-5-[5-(6-ethyl-3,4-dihydroxyoxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4-diol;ethane (CID 160812861) is 2-(4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-6-ethyl-5-[5-(6-ethyl-3,4-dihydroxyoxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4-diol;ethane.

What is the SMILES notation for 2-(4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-6-ethyl-5-[5-(6-ethyl-3,4-dihydroxyoxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4-diol;ethane?

The canonical SMILES for 2-(4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-6-ethyl-5-[5-(6-ethyl-3,4-dihydroxyoxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4-diol;ethane is CC.CCC1CC(O)C(O)C(OC2C(CO)OC(OC3C(CC)OC(OC4COC(OC)C(O)C4O)C(O)C3O)C(O)C2O)O1.

What is the InChIKey of 2-(4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-6-ethyl-5-[5-(6-ethyl-3,4-dihydroxyoxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4-diol;ethane?

The InChIKey is SENHUNSRWLZLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O17.C2H6/c1-4-9-6-10(28)14(29)24(38-9)43-22-12(7-27)40-26(20(35)17(22)32)42-21-11(5-2)39-25(19(34)16(21)31)41-13-8-37-23(36-3)18(33)15(13)30;1-2/h9-35H,4-8H2,1-3H3;1-2H3.

What are the key properties of 2-(4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-6-ethyl-5-[5-(6-ethyl-3,4-dihydroxyoxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4-diol;ethane?

2-(4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-6-ethyl-5-[5-(6-ethyl-3,4-dihydroxyoxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4-diol;ethane has a molecular weight of 660.71 g/mol, XLogP of -3.56, 10 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-6-ethyl-5-[5-(6-ethyl-3,4-dihydroxyoxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4-diol;ethane is sourced from PubChem (CID 160812861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).