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-hydroxydocosanamide

C65H122N2O24 — CID 163114379

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-hydroxydocosanamide

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-hydroxydocosanamide (PubChem CID 163114379) has the molecular formula C65H122N2O24 and a molecular weight of 1315.68 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-hydroxydocosanamide.

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-hydroxydocosanamide
• PubChem CID: 163114379
• Molecular Formula: C65H122N2O24
• Molecular Weight: 1315.68 g/mol
• Exact Mass: 1314.84
• 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-hydroxydocosanamide
• SMILES: CCCCCCCCCCCCCCCCCCCCC(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/C65H122N2O24/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-44(72)61(83)67-42(50(74)43(71)34-32-30-28-26-24-16-14-12-10-8-6-2)38-84-65-60(56(80)51(75)45(36-68)88-65)91-64-58(82)55(79)52(76)47(89-64)39-85-62-48(66-41(4)70)59(53(77)46(37-69)87-62)90-63-57(81)54(78)49(73)40(3)86-63/h40,42-60,62-65,68-69,71-82H,5-39H2,1-4H3,(H,66,70)(H,67,83)
• InChIKey: VGTMBLKTXUELHC-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 415.26 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 24
• Rotatable Bonds: 48
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1315.68
LogP ≤ 5	2.15
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-hydroxydocosanamide?

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-hydroxydocosanamide (CID 163114379) 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-hydroxydocosanamide.

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-hydroxydocosanamide?

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-hydroxydocosanamide is CCCCCCCCCCCCCCCCCCCCC(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-hydroxydocosanamide?

The InChIKey is VGTMBLKTXUELHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H122N2O24/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-44(72)61(83)67-42(50(74)43(71)34-32-30-28-26-24-16-14-12-10-8-6-2)38-84-65-60(56(80)51(75)45(36-68)88-65)91-64-58(82)55(79)52(76)47(89-64)39-85-62-48(66-41(4)70)59(53(77)46(37-69)87-62)90-63-57(81)54(78)49(73)40(3)86-63/h40,42-60,62-65,68-69,71-82H,5-39H2,1-4H3,(H,66,70)(H,67,83).

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-hydroxydocosanamide?

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-hydroxydocosanamide has a molecular weight of 1315.68 g/mol, XLogP of 2.15, 48 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-hydroxydocosanamide is sourced from PubChem (CID 163114379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).