(Z)-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-hydroxydocosan-2-yl]tetratriacont-23-enamide

C74H141NO18 — CID 165287274

About (Z)-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-hydroxydocosan-2-yl]tetratriacont-23-enamide

(Z)-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-hydroxydocosan-2-yl]tetratriacont-23-enamide (PubChem CID 165287274) has the molecular formula C74H141NO18 and a molecular weight of 1332.93 g/mol. Its IUPAC name is (Z)-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-hydroxydocosan-2-yl]tetratriacont-23-enamide.

Molecular Properties

• Compound Name: (Z)-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-hydroxydocosan-2-yl]tetratriacont-23-enamide
• PubChem CID: 165287274
• Molecular Formula: C74H141NO18
• Molecular Weight: 1332.93 g/mol
• Exact Mass: 1332.01
• IUPAC Name: (Z)-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-hydroxydocosan-2-yl]tetratriacont-23-enamide
• SMILES: CCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)CCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C74H141NO18/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-62(80)75-57(58(79)51-49-47-45-43-41-39-37-35-20-18-16-14-12-10-8-6-4-2)56-88-72-68(86)65(83)70(60(54-77)90-72)93-74-69(87)66(84)71(61(55-78)91-74)92-73-67(85)64(82)63(81)59(53-76)89-73/h21-22,57-61,63-74,76-79,81-87H,3-20,23-56H2,1-2H3,(H,75,80)/b22-21-
• InChIKey: RHIYFHRTDWUNHU-DQRAZIAOSA-N
• XLogP: 11.62
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 61
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1332.93
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-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-hydroxydocosan-2-yl]tetratriacont-23-enamide?

The IUPAC name of (Z)-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-hydroxydocosan-2-yl]tetratriacont-23-enamide (CID 165287274) is (Z)-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-hydroxydocosan-2-yl]tetratriacont-23-enamide.

What is the SMILES notation for (Z)-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-hydroxydocosan-2-yl]tetratriacont-23-enamide?

The canonical SMILES for (Z)-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-hydroxydocosan-2-yl]tetratriacont-23-enamide is CCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)CCCCCCCCCCCCCCCCCCC.

What is the InChIKey of (Z)-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-hydroxydocosan-2-yl]tetratriacont-23-enamide?

The InChIKey is RHIYFHRTDWUNHU-DQRAZIAOSA-N. The full InChI is InChI=1S/C74H141NO18/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-62(80)75-57(58(79)51-49-47-45-43-41-39-37-35-20-18-16-14-12-10-8-6-4-2)56-88-72-68(86)65(83)70(60(54-77)90-72)93-74-69(87)66(84)71(61(55-78)91-74)92-73-67(85)64(82)63(81)59(53-76)89-73/h21-22,57-61,63-74,76-79,81-87H,3-20,23-56H2,1-2H3,(H,75,80)/b22-21-.

What are the key properties of (Z)-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-hydroxydocosan-2-yl]tetratriacont-23-enamide?

(Z)-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-hydroxydocosan-2-yl]tetratriacont-23-enamide has a molecular weight of 1332.93 g/mol, XLogP of 11.62, 61 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-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-hydroxydocosan-2-yl]tetratriacont-23-enamide is sourced from PubChem (CID 165287274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).