(Z)-N-[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]-15-hydroxypentadec-9-enamide

C24H44N2O8 — CID 163805417

About (Z)-N-[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]-15-hydroxypentadec-9-enamide

(Z)-N-[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]-15-hydroxypentadec-9-enamide (PubChem CID 163805417) has the molecular formula C24H44N2O8 and a molecular weight of 488.62 g/mol. Its IUPAC name is (Z)-N-[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]-15-hydroxypentadec-9-enamide.

Molecular Properties

• Compound Name: (Z)-N-[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]-15-hydroxypentadec-9-enamide
• PubChem CID: 163805417
• Molecular Formula: C24H44N2O8
• Molecular Weight: 488.62 g/mol
• Exact Mass: 488.31
• IUPAC Name: (Z)-N-[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]-15-hydroxypentadec-9-enamide
• SMILES: COC1OC(CO)C(O)C(O)C1NC(=O)CNC(=O)CCCCCCC/C=C\CCCCCO
• InChI: InChI=1S/C24H44N2O8/c1-33-24-21(23(32)22(31)18(17-28)34-24)26-20(30)16-25-19(29)14-12-10-8-6-4-2-3-5-7-9-11-13-15-27/h3,5,18,21-24,27-28,31-32H,2,4,6-17H2,1H3,(H,25,29)(H,26,30)/b5-3-
• InChIKey: NIPLPDHWXIWYJZ-HYXAFXHYSA-N
• XLogP: 0.51
• TPSA: 157.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.62
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]-15-hydroxypentadec-9-enamide?

The IUPAC name of (Z)-N-[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]-15-hydroxypentadec-9-enamide (CID 163805417) is (Z)-N-[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]-15-hydroxypentadec-9-enamide.

What is the SMILES notation for (Z)-N-[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]-15-hydroxypentadec-9-enamide?

The canonical SMILES for (Z)-N-[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]-15-hydroxypentadec-9-enamide is COC1OC(CO)C(O)C(O)C1NC(=O)CNC(=O)CCCCCCC/C=C\CCCCCO.

What is the InChIKey of (Z)-N-[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]-15-hydroxypentadec-9-enamide?

The InChIKey is NIPLPDHWXIWYJZ-HYXAFXHYSA-N. The full InChI is InChI=1S/C24H44N2O8/c1-33-24-21(23(32)22(31)18(17-28)34-24)26-20(30)16-25-19(29)14-12-10-8-6-4-2-3-5-7-9-11-13-15-27/h3,5,18,21-24,27-28,31-32H,2,4,6-17H2,1H3,(H,25,29)(H,26,30)/b5-3-.

What are the key properties of (Z)-N-[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]-15-hydroxypentadec-9-enamide?

(Z)-N-[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]-15-hydroxypentadec-9-enamide has a molecular weight of 488.62 g/mol, XLogP of 0.51, 18 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]-15-hydroxypentadec-9-enamide is sourced from PubChem (CID 163805417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).