2-[[3,4-dihydroxy-6-(2-hydroxy-2-methylpentan-3-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C24H44O17 — CID 155214940

About 2-[[3,4-dihydroxy-6-(2-hydroxy-2-methylpentan-3-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[[3,4-dihydroxy-6-(2-hydroxy-2-methylpentan-3-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 155214940) has the molecular formula C24H44O17 and a molecular weight of 604.60 g/mol. Its IUPAC name is 2-[[3,4-dihydroxy-6-(2-hydroxy-2-methylpentan-3-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: 2-[[3,4-dihydroxy-6-(2-hydroxy-2-methylpentan-3-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 155214940
• Molecular Formula: C24H44O17
• Molecular Weight: 604.60 g/mol
• Exact Mass: 604.26
• IUPAC Name: 2-[[3,4-dihydroxy-6-(2-hydroxy-2-methylpentan-3-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(C)(C)O
• InChI: InChI=1S/C24H44O17/c1-4-11(24(2,3)35)40-23-20(41-22-19(34)16(31)13(28)9(6-26)38-22)17(32)14(29)10(39-23)7-36-21-18(33)15(30)12(27)8(5-25)37-21/h8-23,25-35H,4-7H2,1-3H3
• InChIKey: INZKVVVEISMCED-UHFFFAOYSA-N
• XLogP: -6.00
• TPSA: 277.91 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	604.60
LogP ≤ 5	-6.00
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[[3,4-dihydroxy-6-(2-hydroxy-2-methylpentan-3-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of 2-[[3,4-dihydroxy-6-(2-hydroxy-2-methylpentan-3-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 155214940) is 2-[[3,4-dihydroxy-6-(2-hydroxy-2-methylpentan-3-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for 2-[[3,4-dihydroxy-6-(2-hydroxy-2-methylpentan-3-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for 2-[[3,4-dihydroxy-6-(2-hydroxy-2-methylpentan-3-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(C)(C)O.

What is the InChIKey of 2-[[3,4-dihydroxy-6-(2-hydroxy-2-methylpentan-3-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is INZKVVVEISMCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O17/c1-4-11(24(2,3)35)40-23-20(41-22-19(34)16(31)13(28)9(6-26)38-22)17(32)14(29)10(39-23)7-36-21-18(33)15(30)12(27)8(5-25)37-21/h8-23,25-35H,4-7H2,1-3H3.

What are the key properties of 2-[[3,4-dihydroxy-6-(2-hydroxy-2-methylpentan-3-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

2-[[3,4-dihydroxy-6-(2-hydroxy-2-methylpentan-3-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 604.60 g/mol, XLogP of -6.00, 11 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3,4-dihydroxy-6-(2-hydroxy-2-methylpentan-3-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 155214940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).