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

C56H109NO15 — CID 163110343

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

N-[1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxypentacosanamide (PubChem CID 163110343) has the molecular formula C56H109NO15 and a molecular weight of 1036.48 g/mol. Its IUPAC name is N-[1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxypentacosanamide.

Molecular Properties

• Compound Name: N-[1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxypentacosanamide
• PubChem CID: 163110343
• Molecular Formula: C56H109NO15
• Molecular Weight: 1036.48 g/mol
• Exact Mass: 1035.78
• IUPAC Name: N-[1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxypentacosanamide
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCCC
• InChI: InChI=1S/C56H109NO15/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(61)54(68)57-42(47(62)43(60)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)41-69-56-53(51(66)49(64)46(40-59)71-56)72-55-52(67)50(65)48(63)45(39-58)70-55/h42-53,55-56,58-67H,3-41H2,1-2H3,(H,57,68)
• InChIKey: KBOPXSWNFWLWRE-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 268.32 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 15
• Rotatable Bonds: 47
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1036.48
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxypentacosanamide (CID 163110343) is N-[1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxypentacosanamide.

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

The canonical SMILES for N-[1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxypentacosanamide is CCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCCC.

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

The InChIKey is KBOPXSWNFWLWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H109NO15/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(61)54(68)57-42(47(62)43(60)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)41-69-56-53(51(66)49(64)46(40-59)71-56)72-55-52(67)50(65)48(63)45(39-58)70-55/h42-53,55-56,58-67H,3-41H2,1-2H3,(H,57,68).

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

N-[1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxypentacosanamide has a molecular weight of 1036.48 g/mol, XLogP of 7.28, 47 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxypentacosanamide is sourced from PubChem (CID 163110343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).