N-[1-[6-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxytetracosanamide

C60H114N2O20 — CID 163168278

About N-[1-[6-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxytetracosanamide

N-[1-[6-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxytetracosanamide (PubChem CID 163168278) has the molecular formula C60H114N2O20 and a molecular weight of 1183.57 g/mol. Its IUPAC name is N-[1-[6-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxytetracosanamide.

Molecular Properties

• Compound Name: N-[1-[6-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxytetracosanamide
• PubChem CID: 163168278
• Molecular Formula: C60H114N2O20
• Molecular Weight: 1183.57 g/mol
• Exact Mass: 1182.80
• IUPAC Name: N-[1-[6-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxytetracosanamide
• SMILES: CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(COC2OC(CO)C(O)C(O)C2NC(C)=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCC
• InChI: InChI=1S/C60H114N2O20/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-43(67)57(76)62-41(48(68)42(66)34-32-30-28-26-15-13-11-9-7-5-2)38-77-60-56(82-59-55(75)53(73)50(70)45(37-64)80-59)54(74)51(71)46(81-60)39-78-58-47(61-40(3)65)52(72)49(69)44(36-63)79-58/h41-56,58-60,63-64,66-75H,4-39H2,1-3H3,(H,61,65)(H,62,76)
• InChIKey: UHRDICSNMRVKSU-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 356.34 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 20
• Rotatable Bonds: 47
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1183.57
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[1-[6-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxytetracosanamide (CID 163168278) is N-[1-[6-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxytetracosanamide.

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

The canonical SMILES for N-[1-[6-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxytetracosanamide is CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(COC2OC(CO)C(O)C(O)C2NC(C)=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCC.

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

The InChIKey is UHRDICSNMRVKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H114N2O20/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-43(67)57(76)62-41(48(68)42(66)34-32-30-28-26-15-13-11-9-7-5-2)38-77-60-56(82-59-55(75)53(73)50(70)45(37-64)80-59)54(74)51(71)46(81-60)39-78-58-47(61-40(3)65)52(72)49(69)44(36-63)79-58/h41-56,58-60,63-64,66-75H,4-39H2,1-3H3,(H,61,65)(H,62,76).

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

N-[1-[6-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxytetracosanamide has a molecular weight of 1183.57 g/mol, XLogP of 3.69, 47 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxytetracosanamide is sourced from PubChem (CID 163168278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).