3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane

C20H38O11 — CID 91701485

About 3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane

3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane (PubChem CID 91701485) has the molecular formula C20H38O11 and a molecular weight of 454.51 g/mol. Its IUPAC name is 3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane.

Molecular Properties

• Compound Name: 3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
• PubChem CID: 91701485
• Molecular Formula: C20H38O11
• Molecular Weight: 454.51 g/mol
• Exact Mass: 454.24
• IUPAC Name: 3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
• SMILES: COCC1OC(O[C@H]2O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]2OC)C(OC)C(OC)C1OC
• InChI: InChI=1S/C20H38O11/c1-21-9-11-13(23-3)15(25-5)17(27-7)19(29-11)31-20-18(28-8)16(26-6)14(24-4)12(30-20)10-22-2/h11-20H,9-10H2,1-8H3/t11-,12?,13-,14?,15+,16?,17-,18?,19-,20?/m1/s1
• InChIKey: PREGLBRFCLDAND-HPWCKCNOSA-N
• XLogP: -0.16
• TPSA: 101.53 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.51
LogP ≤ 5	-0.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane?

The IUPAC name of 3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane (CID 91701485) is 3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane.

What is the SMILES notation for 3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane?

The canonical SMILES for 3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane is COCC1OC(O[C@H]2O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]2OC)C(OC)C(OC)C1OC.

What is the InChIKey of 3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane?

The InChIKey is PREGLBRFCLDAND-HPWCKCNOSA-N. The full InChI is InChI=1S/C20H38O11/c1-21-9-11-13(23-3)15(25-5)17(27-7)19(29-11)31-20-18(28-8)16(26-6)14(24-4)12(30-20)10-22-2/h11-20H,9-10H2,1-8H3/t11-,12?,13-,14?,15+,16?,17-,18?,19-,20?/m1/s1.

What are the key properties of 3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane?

3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane has a molecular weight of 454.51 g/mol, XLogP of -0.16, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane is sourced from PubChem (CID 91701485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).