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-hydroxydotriacontan-2-yl]octacosanamide

C78H151NO18 — CID 165329711

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-hydroxydotriacontan-2-yl]octacosanamide

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-hydroxydotriacontan-2-yl]octacosanamide (PubChem CID 165329711) has the molecular formula C78H151NO18 and a molecular weight of 1391.05 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-hydroxydotriacontan-2-yl]octacosanamide.

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-hydroxydotriacontan-2-yl]octacosanamide
• PubChem CID: 165329711
• Molecular Formula: C78H151NO18
• Molecular Weight: 1391.05 g/mol
• Exact Mass: 1390.09
• 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-hydroxydotriacontan-2-yl]octacosanamide
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C78H151NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-33-35-37-39-41-43-45-47-49-51-53-55-62(83)61(79-66(84)56-54-52-50-48-46-44-42-40-38-36-34-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2)60-92-76-72(90)69(87)74(64(58-81)94-76)97-78-73(91)70(88)75(65(59-82)95-78)96-77-71(89)68(86)67(85)63(57-80)93-77/h61-65,67-78,80-83,85-91H,3-60H2,1-2H3,(H,79,84)
• InChIKey: YNTOCIQQPDJXEU-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 66
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1391.05
LogP ≤ 5	13.40
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-hydroxydotriacontan-2-yl]octacosanamide?

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-hydroxydotriacontan-2-yl]octacosanamide (CID 165329711) 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-hydroxydotriacontan-2-yl]octacosanamide.

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-hydroxydotriacontan-2-yl]octacosanamide?

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-hydroxydotriacontan-2-yl]octacosanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)NC(=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-hydroxydotriacontan-2-yl]octacosanamide?

The InChIKey is YNTOCIQQPDJXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H151NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-33-35-37-39-41-43-45-47-49-51-53-55-62(83)61(79-66(84)56-54-52-50-48-46-44-42-40-38-36-34-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2)60-92-76-72(90)69(87)74(64(58-81)94-76)97-78-73(91)70(88)75(65(59-82)95-78)96-77-71(89)68(86)67(85)63(57-80)93-77/h61-65,67-78,80-83,85-91H,3-60H2,1-2H3,(H,79,84).

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-hydroxydotriacontan-2-yl]octacosanamide?

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-hydroxydotriacontan-2-yl]octacosanamide has a molecular weight of 1391.05 g/mol, XLogP of 13.40, 66 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-hydroxydotriacontan-2-yl]octacosanamide is sourced from PubChem (CID 165329711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).