N-[1-[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2S,4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyhexadecan-2-yl]tetracosanamide;formic acid

C64H122N2O19 — CID 159060995

About N-[1-[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2S,4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyhexadecan-2-yl]tetracosanamide;formic acid

N-[1-[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2S,4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyhexadecan-2-yl]tetracosanamide;formic acid (PubChem CID 159060995) has the molecular formula C64H122N2O19 and a molecular weight of 1223.67 g/mol. Its IUPAC name is N-[1-[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2S,4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyhexadecan-2-yl]tetracosanamide;formic acid.

Molecular Properties

• Compound Name: N-[1-[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2S,4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyhexadecan-2-yl]tetracosanamide;formic acid
• PubChem CID: 159060995
• Molecular Formula: C64H122N2O19
• Molecular Weight: 1223.67 g/mol
• Exact Mass: 1222.86
• IUPAC Name: N-[1-[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2S,4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyhexadecan-2-yl]tetracosanamide;formic acid
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CCCCCCCCCCCCCC)CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO[C@@H]3C[C@@H](O)[C@@H](C)C([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)C2O)[C@H](O)C1NC(C)=O.O=CO
• InChI: InChI=1S/C63H120N2O17.CH2O2/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-52(71)65-47(38-36-34-32-30-28-18-16-14-12-10-8-6-2)43-78-62-54(64-46(4)68)57(74)61(50(42-67)79-62)82-63-59(76)58(75)56(73)51(80-63)44-77-53-40-48(69)45(3)60(81-53)55(72)49(70)41-66;2-1-3/h45,47-51,53-63,66-67,69-70,72-76H,5-44H2,1-4H3,(H,64,68)(H,65,71);1H,(H,2,3)/t45-,47?,48-,49-,50?,51?,53+,54?,55-,56+,57-,58+,59?,60?,61-,62-,63+;/m1./s1
• InChIKey: JYLVOCJRJHPQKV-CEJJBDNGSA-N
• XLogP: 7.50
• TPSA: 332.95 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 49
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1223.67
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2S,4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyhexadecan-2-yl]tetracosanamide;formic acid?

The IUPAC name of N-[1-[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2S,4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyhexadecan-2-yl]tetracosanamide;formic acid (CID 159060995) is N-[1-[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2S,4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyhexadecan-2-yl]tetracosanamide;formic acid.

What is the SMILES notation for N-[1-[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2S,4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyhexadecan-2-yl]tetracosanamide;formic acid?

The canonical SMILES for N-[1-[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2S,4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyhexadecan-2-yl]tetracosanamide;formic acid is CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CCCCCCCCCCCCCC)CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO[C@@H]3C[C@@H](O)[C@@H](C)C([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)C2O)[C@H](O)C1NC(C)=O.O=CO.

What is the InChIKey of N-[1-[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2S,4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyhexadecan-2-yl]tetracosanamide;formic acid?

The InChIKey is JYLVOCJRJHPQKV-CEJJBDNGSA-N. The full InChI is InChI=1S/C63H120N2O17.CH2O2/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-52(71)65-47(38-36-34-32-30-28-18-16-14-12-10-8-6-2)43-78-62-54(64-46(4)68)57(74)61(50(42-67)79-62)82-63-59(76)58(75)56(73)51(80-63)44-77-53-40-48(69)45(3)60(81-53)55(72)49(70)41-66;2-1-3/h45,47-51,53-63,66-67,69-70,72-76H,5-44H2,1-4H3,(H,64,68)(H,65,71);1H,(H,2,3)/t45-,47?,48-,49-,50?,51?,53+,54?,55-,56+,57-,58+,59?,60?,61-,62-,63+;/m1./s1.

What are the key properties of N-[1-[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2S,4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyhexadecan-2-yl]tetracosanamide;formic acid?

N-[1-[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2S,4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyhexadecan-2-yl]tetracosanamide;formic acid has a molecular weight of 1223.67 g/mol, XLogP of 7.50, 49 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2R,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2S,4R,5R)-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyhexadecan-2-yl]tetracosanamide;formic acid is sourced from PubChem (CID 159060995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).