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

C29H54O16 — CID 22950330

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

4,5-dimethoxy-2-(methoxymethyl)-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane (PubChem CID 22950330) has the molecular formula C29H54O16 and a molecular weight of 658.73 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(methoxymethyl)-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane.

Molecular Properties

• Compound Name: 4,5-dimethoxy-2-(methoxymethyl)-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane
• PubChem CID: 22950330
• Molecular Formula: C29H54O16
• Molecular Weight: 658.73 g/mol
• Exact Mass: 658.34
• IUPAC Name: 4,5-dimethoxy-2-(methoxymethyl)-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane
• SMILES: COCC1OC(OC2C(COC)OC(OC3C(COC)OC(OC)C(OC)C3OC)C(OC)C2OC)C(OC)C(OC)C1OC
• InChI: InChI=1S/C29H54O16/c1-30-12-15-18(33-4)21(34-5)25(38-9)28(42-15)45-20-17(14-32-3)43-29(26(39-10)23(20)36-7)44-19-16(13-31-2)41-27(40-11)24(37-8)22(19)35-6/h15-29H,12-14H2,1-11H3
• InChIKey: LNAZSHAWQACDHT-UHFFFAOYSA-N
• XLogP: -0.38
• TPSA: 147.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.73
LogP ≤ 5	-0.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 4,5-dimethoxy-2-(methoxymethyl)-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane (CID 22950330) is 4,5-dimethoxy-2-(methoxymethyl)-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane.

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

The canonical SMILES for 4,5-dimethoxy-2-(methoxymethyl)-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane is COCC1OC(OC2C(COC)OC(OC3C(COC)OC(OC)C(OC)C3OC)C(OC)C2OC)C(OC)C(OC)C1OC.

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

The InChIKey is LNAZSHAWQACDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54O16/c1-30-12-15-18(33-4)21(34-5)25(38-9)28(42-15)45-20-17(14-32-3)43-29(26(39-10)23(20)36-7)44-19-16(13-31-2)41-27(40-11)24(37-8)22(19)35-6/h15-29H,12-14H2,1-11H3.

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

4,5-dimethoxy-2-(methoxymethyl)-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane has a molecular weight of 658.73 g/mol, XLogP of -0.38, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethoxy-2-(methoxymethyl)-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane is sourced from PubChem (CID 22950330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).