2,3,4,5-tetramethoxy-6-[3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal

C29H54O16 — CID 560410

About 2,3,4,5-tetramethoxy-6-[3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal

2,3,4,5-tetramethoxy-6-[3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal (PubChem CID 560410) has the molecular formula C29H54O16 and a molecular weight of 658.73 g/mol. Its IUPAC name is 2,3,4,5-tetramethoxy-6-[3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal.

Molecular Properties

• Compound Name: 2,3,4,5-tetramethoxy-6-[3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
• PubChem CID: 560410
• Molecular Formula: C29H54O16
• Molecular Weight: 658.73 g/mol
• Exact Mass: 658.34
• IUPAC Name: 2,3,4,5-tetramethoxy-6-[3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
• SMILES: COCC1OC(OCC2OC(OCC(OC)C(OC)C(OC)C(C=O)OC)C(OC)C(OC)C2OC)C(OC)C(OC)C1OC
• InChI: InChI=1S/C29H54O16/c1-31-13-18-22(36-6)24(38-8)26(40-10)29(44-18)43-15-19-23(37-7)25(39-9)27(41-11)28(45-19)42-14-17(33-3)21(35-5)20(34-4)16(12-30)32-2/h12,16-29H,13-15H2,1-11H3
• InChIKey: KILPSIXTALOEIK-UHFFFAOYSA-N
• XLogP: -0.54
• TPSA: 155.52 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.73
LogP ≤ 5	-0.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethoxy-6-[3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal?

The IUPAC name of 2,3,4,5-tetramethoxy-6-[3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal (CID 560410) is 2,3,4,5-tetramethoxy-6-[3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal.

What is the SMILES notation for 2,3,4,5-tetramethoxy-6-[3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal?

The canonical SMILES for 2,3,4,5-tetramethoxy-6-[3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal is COCC1OC(OCC2OC(OCC(OC)C(OC)C(OC)C(C=O)OC)C(OC)C(OC)C2OC)C(OC)C(OC)C1OC.

What is the InChIKey of 2,3,4,5-tetramethoxy-6-[3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal?

The InChIKey is KILPSIXTALOEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54O16/c1-31-13-18-22(36-6)24(38-8)26(40-10)29(44-18)43-15-19-23(37-7)25(39-9)27(41-11)28(45-19)42-14-17(33-3)21(35-5)20(34-4)16(12-30)32-2/h12,16-29H,13-15H2,1-11H3.

What are the key properties of 2,3,4,5-tetramethoxy-6-[3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal?

2,3,4,5-tetramethoxy-6-[3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal has a molecular weight of 658.73 g/mol, XLogP of -0.54, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,5-tetramethoxy-6-[3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal is sourced from PubChem (CID 560410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).