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-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxypentacosanamide

C69H130N2O24 — CID 163152471

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-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxypentacosanamide

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-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxypentacosanamide (PubChem CID 163152471) has the molecular formula C69H130N2O24 and a molecular weight of 1371.79 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-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxypentacosanamide.

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-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxypentacosanamide
• PubChem CID: 163152471
• Molecular Formula: C69H130N2O24
• Molecular Weight: 1371.79 g/mol
• Exact Mass: 1370.90
• 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-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxypentacosanamide
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(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)CCCCCCCCCCCC(C)C
• InChI: InChI=1S/C69H130N2O24/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-32-35-38-48(76)65(87)71-46(54(78)47(75)37-34-31-28-26-23-24-27-30-33-36-43(2)3)41-88-69-64(60(84)55(79)49(39-72)92-69)95-68-62(86)59(83)56(80)51(93-68)42-89-66-52(70-45(5)74)63(57(81)50(40-73)91-66)94-67-61(85)58(82)53(77)44(4)90-67/h43-44,46-64,66-69,72-73,75-86H,6-42H2,1-5H3,(H,70,74)(H,71,87)
• InChIKey: NVVJBTJCCDRNSB-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 415.26 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 24
• Rotatable Bonds: 51
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1371.79
LogP ≤ 5	3.56
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-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxypentacosanamide?

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-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxypentacosanamide (CID 163152471) 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-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxypentacosanamide.

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-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxypentacosanamide?

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-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxypentacosanamide is CCCCCCCCCCCCCCCCCCCCCCCC(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)CCCCCCCCCCCC(C)C.

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-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxypentacosanamide?

The InChIKey is NVVJBTJCCDRNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H130N2O24/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-32-35-38-48(76)65(87)71-46(54(78)47(75)37-34-31-28-26-23-24-27-30-33-36-43(2)3)41-88-69-64(60(84)55(79)49(39-72)92-69)95-68-62(86)59(83)56(80)51(93-68)42-89-66-52(70-45(5)74)63(57(81)50(40-73)91-66)94-67-61(85)58(82)53(77)44(4)90-67/h43-44,46-64,66-69,72-73,75-86H,6-42H2,1-5H3,(H,70,74)(H,71,87).

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-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxypentacosanamide?

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-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxypentacosanamide has a molecular weight of 1371.79 g/mol, XLogP of 3.56, 51 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-dihydroxy-16-methylheptadecan-2-yl]-2-hydroxypentacosanamide is sourced from PubChem (CID 163152471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).