N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytriacontan-2-yl]dotriacontanamide

C80H155NO18 — CID 165209254

About N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytriacontan-2-yl]dotriacontanamide

N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytriacontan-2-yl]dotriacontanamide (PubChem CID 165209254) has the molecular formula C80H155NO18 and a molecular weight of 1419.11 g/mol. Its IUPAC name is N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytriacontan-2-yl]dotriacontanamide.

Molecular Properties

• Compound Name: N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytriacontan-2-yl]dotriacontanamide
• PubChem CID: 165209254
• Molecular Formula: C80H155NO18
• Molecular Weight: 1419.11 g/mol
• Exact Mass: 1418.12
• IUPAC Name: N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytriacontan-2-yl]dotriacontanamide
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C80H155NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-34-36-38-40-42-44-46-48-50-52-54-56-58-68(86)81-63(64(85)57-55-53-51-49-47-45-43-41-39-37-35-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2)62-94-78-74(92)71(89)76(66(60-83)96-78)99-80-75(93)72(90)77(67(61-84)97-80)98-79-73(91)70(88)69(87)65(59-82)95-79/h63-67,69-80,82-85,87-93H,3-62H2,1-2H3,(H,81,86)
• InChIKey: FJWXTAPPHOSYMV-UHFFFAOYSA-N
• XLogP: 14.18
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 68
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1419.11
LogP ≤ 5	14.18
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytriacontan-2-yl]dotriacontanamide?

The IUPAC name of N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytriacontan-2-yl]dotriacontanamide (CID 165209254) is N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytriacontan-2-yl]dotriacontanamide.

What is the SMILES notation for N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytriacontan-2-yl]dotriacontanamide?

The canonical SMILES for N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytriacontan-2-yl]dotriacontanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCC.

What is the InChIKey of N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytriacontan-2-yl]dotriacontanamide?

The InChIKey is FJWXTAPPHOSYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H155NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-34-36-38-40-42-44-46-48-50-52-54-56-58-68(86)81-63(64(85)57-55-53-51-49-47-45-43-41-39-37-35-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2)62-94-78-74(92)71(89)76(66(60-83)96-78)99-80-75(93)72(90)77(67(61-84)97-80)98-79-73(91)70(88)69(87)65(59-82)95-79/h63-67,69-80,82-85,87-93H,3-62H2,1-2H3,(H,81,86).

What are the key properties of N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytriacontan-2-yl]dotriacontanamide?

N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytriacontan-2-yl]dotriacontanamide has a molecular weight of 1419.11 g/mol, XLogP of 14.18, 68 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytriacontan-2-yl]dotriacontanamide is sourced from PubChem (CID 165209254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).