N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]decanamide

C34H67NO8 — CID 18781901

About N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]decanamide

N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]decanamide (PubChem CID 18781901) has the molecular formula C34H67NO8 and a molecular weight of 617.91 g/mol. Its IUPAC name is N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]decanamide.

Molecular Properties

• Compound Name: N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]decanamide
• PubChem CID: 18781901
• Molecular Formula: C34H67NO8
• Molecular Weight: 617.91 g/mol
• Exact Mass: 617.49
• IUPAC Name: N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]decanamide
• SMILES: CCCCCCCCCCCCCCCC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCC
• InChI: InChI=1S/C34H67NO8/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-28(37)27(35-30(38)24-22-20-17-10-8-6-4-2)26-42-34-33(41)32(40)31(39)29(25-36)43-34/h27-29,31-34,36-37,39-41H,3-26H2,1-2H3,(H,35,38)
• InChIKey: CTAVRVWGGQYQTL-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 148.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 28
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	617.91
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]decanamide?

The IUPAC name of N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]decanamide (CID 18781901) is N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]decanamide.

What is the SMILES notation for N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]decanamide?

The canonical SMILES for N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]decanamide is CCCCCCCCCCCCCCCC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCC.

What is the InChIKey of N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]decanamide?

The InChIKey is CTAVRVWGGQYQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H67NO8/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-28(37)27(35-30(38)24-22-20-17-10-8-6-4-2)26-42-34-33(41)32(40)31(39)29(25-36)43-34/h27-29,31-34,36-37,39-41H,3-26H2,1-2H3,(H,35,38).

What are the key properties of N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]decanamide?

N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]decanamide has a molecular weight of 617.91 g/mol, XLogP of 5.27, 28 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]decanamide is sourced from PubChem (CID 18781901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).