5-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoyl]furan-2-carboxylic acid

C39H70O18S2 — CID 140815589

About 5-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoyl]furan-2-carboxylic acid

5-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoyl]furan-2-carboxylic acid (PubChem CID 140815589) has the molecular formula C39H70O18S2 and a molecular weight of 891.10 g/mol. Its IUPAC name is 5-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoyl]furan-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoyl]furan-2-carboxylic acid
• PubChem CID: 140815589
• Molecular Formula: C39H70O18S2
• Molecular Weight: 891.10 g/mol
• Exact Mass: 890.40
• IUPAC Name: 5-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoyl]furan-2-carboxylic acid
• SMILES: COCCOCCOCCOCCOCCOCCOCCSCC(CSCCOCCOCCOCCOCCOCCOCCOC)C(=O)c1ccc(C(=O)O)o1
• InChI: InChI=1S/C39H70O18S2/c1-43-5-7-45-9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-58-33-35(38(40)36-3-4-37(57-36)39(41)42)34-59-32-30-56-28-26-54-24-22-52-20-18-50-16-14-48-12-10-46-8-6-44-2/h3-4,35H,5-34H2,1-2H3,(H,41,42)
• InChIKey: MGVSXWNGTUZXDQ-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 196.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 49
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.10
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoyl]furan-2-carboxylic acid?

The IUPAC name of 5-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoyl]furan-2-carboxylic acid (CID 140815589) is 5-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoyl]furan-2-carboxylic acid.

What is the SMILES notation for 5-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoyl]furan-2-carboxylic acid?

The canonical SMILES for 5-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoyl]furan-2-carboxylic acid is COCCOCCOCCOCCOCCOCCOCCSCC(CSCCOCCOCCOCCOCCOCCOCCOC)C(=O)c1ccc(C(=O)O)o1.

What is the InChIKey of 5-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoyl]furan-2-carboxylic acid?

The InChIKey is MGVSXWNGTUZXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H70O18S2/c1-43-5-7-45-9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-58-33-35(38(40)36-3-4-37(57-36)39(41)42)34-59-32-30-56-28-26-54-24-22-52-20-18-50-16-14-48-12-10-46-8-6-44-2/h3-4,35H,5-34H2,1-2H3,(H,41,42).

What are the key properties of 5-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoyl]furan-2-carboxylic acid?

5-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoyl]furan-2-carboxylic acid has a molecular weight of 891.10 g/mol, XLogP of 2.74, 49 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoyl]furan-2-carboxylic acid is sourced from PubChem (CID 140815589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).