N-[1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxydocosanamide

C55H106N2O15 — CID 163115618

About N-[1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxydocosanamide

N-[1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxydocosanamide (PubChem CID 163115618) has the molecular formula C55H106N2O15 and a molecular weight of 1035.45 g/mol. Its IUPAC name is N-[1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxydocosanamide.

Molecular Properties

• Compound Name: N-[1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxydocosanamide
• PubChem CID: 163115618
• Molecular Formula: C55H106N2O15
• Molecular Weight: 1035.45 g/mol
• Exact Mass: 1034.76
• IUPAC Name: N-[1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxydocosanamide
• SMILES: CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCCC
• InChI: InChI=1S/C55H106N2O15/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-34-36-43(62)53(68)57-41(47(63)42(61)35-33-31-29-27-25-23-17-15-13-11-9-7-5-2)39-69-55-51(67)50(66)52(45(38-59)71-55)72-54-46(56-40(3)60)49(65)48(64)44(37-58)70-54/h41-52,54-55,58-59,61-67H,4-39H2,1-3H3,(H,56,60)(H,57,68)
• InChIKey: YAKFTNJJDCXHNH-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 277.19 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 15
• Rotatable Bonds: 45
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1035.45
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxydocosanamide?

The IUPAC name of N-[1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxydocosanamide (CID 163115618) is N-[1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxydocosanamide.

What is the SMILES notation for N-[1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxydocosanamide?

The canonical SMILES for N-[1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxydocosanamide is CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCCC.

What is the InChIKey of N-[1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxydocosanamide?

The InChIKey is YAKFTNJJDCXHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H106N2O15/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-34-36-43(62)53(68)57-41(47(63)42(61)35-33-31-29-27-25-23-17-15-13-11-9-7-5-2)39-69-55-51(67)50(66)52(45(38-59)71-55)72-54-46(56-40(3)60)49(65)48(64)44(37-58)70-54/h41-52,54-55,58-59,61-67H,4-39H2,1-3H3,(H,56,60)(H,57,68).

What are the key properties of N-[1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxydocosanamide?

N-[1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxydocosanamide has a molecular weight of 1035.45 g/mol, XLogP of 6.25, 45 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxydocosanamide is sourced from PubChem (CID 163115618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).