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

C67H126N2O24 — CID 163149781

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

N-[1-[3-[6-[[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytetracosanamide (PubChem CID 163149781) has the molecular formula C67H126N2O24 and a molecular weight of 1343.73 g/mol. Its IUPAC name is N-[1-[3-[6-[[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytetracosanamide.

Molecular Properties

• Compound Name: N-[1-[3-[6-[[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytetracosanamide
• PubChem CID: 163149781
• Molecular Formula: C67H126N2O24
• Molecular Weight: 1343.73 g/mol
• Exact Mass: 1342.87
• IUPAC Name: N-[1-[3-[6-[[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytetracosanamide
• SMILES: CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2NC(C)=O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCC
• InChI: InChI=1S/C67H126N2O24/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-46(74)63(85)69-44(52(76)45(73)36-34-32-30-28-26-16-14-12-10-8-6-2)40-86-67-62(58(82)53(77)47(38-70)90-67)93-66-60(84)57(81)54(78)49(91-66)41-87-64-50(68-43(4)72)61(55(79)48(39-71)89-64)92-65-59(83)56(80)51(75)42(3)88-65/h42,44-62,64-67,70-71,73-84H,5-41H2,1-4H3,(H,68,72)(H,69,85)
• InChIKey: MXDSYQQHKWKJMR-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 415.26 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 24
• Rotatable Bonds: 50
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1343.73
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[1-[3-[6-[[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytetracosanamide (CID 163149781) is N-[1-[3-[6-[[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytetracosanamide.

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

The canonical SMILES for N-[1-[3-[6-[[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytetracosanamide is CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2NC(C)=O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCC.

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

The InChIKey is MXDSYQQHKWKJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H126N2O24/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-46(74)63(85)69-44(52(76)45(73)36-34-32-30-28-26-16-14-12-10-8-6-2)40-86-67-62(58(82)53(77)47(38-70)90-67)93-66-60(84)57(81)54(78)49(91-66)41-87-64-50(68-43(4)72)61(55(79)48(39-71)89-64)92-65-59(83)56(80)51(75)42(3)88-65/h42,44-62,64-67,70-71,73-84H,5-41H2,1-4H3,(H,68,72)(H,69,85).

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

N-[1-[3-[6-[[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytetracosanamide has a molecular weight of 1343.73 g/mol, XLogP of 2.93, 50 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-[6-[[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytetracosanamide is sourced from PubChem (CID 163149781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).