6-[2-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid

C20H34O16 — CID 163181669

About 6-[2-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid

6-[2-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 163181669) has the molecular formula C20H34O16 and a molecular weight of 530.48 g/mol. Its IUPAC name is 6-[2-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[2-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
• PubChem CID: 163181669
• Molecular Formula: C20H34O16
• Molecular Weight: 530.48 g/mol
• Exact Mass: 530.18
• IUPAC Name: 6-[2-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
• SMILES: CC1OC(OC2C(O)C(C)OC(OCC(O)C3OC(O)(C(=O)O)CC(O)C3O)C2O)C(O)C(O)C1O
• InChI: InChI=1S/C20H34O16/c1-5-9(23)12(26)13(27)18(34-5)35-16-10(24)6(2)33-17(14(16)28)32-4-8(22)15-11(25)7(21)3-20(31,36-15)19(29)30/h5-18,21-28,31H,3-4H2,1-2H3,(H,29,30)
• InChIKey: ZIUKKTGRMNORHP-UHFFFAOYSA-N
• XLogP: -5.67
• TPSA: 265.52 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	530.48
LogP ≤ 5	-5.67
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid?

The IUPAC name of 6-[2-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid (CID 163181669) is 6-[2-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid.

What is the SMILES notation for 6-[2-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid?

The canonical SMILES for 6-[2-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid is CC1OC(OC2C(O)C(C)OC(OCC(O)C3OC(O)(C(=O)O)CC(O)C3O)C2O)C(O)C(O)C1O.

What is the InChIKey of 6-[2-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid?

The InChIKey is ZIUKKTGRMNORHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O16/c1-5-9(23)12(26)13(27)18(34-5)35-16-10(24)6(2)33-17(14(16)28)32-4-8(22)15-11(25)7(21)3-20(31,36-15)19(29)30/h5-18,21-28,31H,3-4H2,1-2H3,(H,29,30).

What are the key properties of 6-[2-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid?

6-[2-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 530.48 g/mol, XLogP of -5.67, 7 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 163181669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).