N-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-2-methylpropyl]-5-(2-hydroxyethoxy)pentanamide

C24H45N3O10 — CID 126718517

About N-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-2-methylpropyl]-5-(2-hydroxyethoxy)pentanamide

N-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-2-methylpropyl]-5-(2-hydroxyethoxy)pentanamide (PubChem CID 126718517) has the molecular formula C24H45N3O10 and a molecular weight of 535.64 g/mol. Its IUPAC name is N-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-2-methylpropyl]-5-(2-hydroxyethoxy)pentanamide.

Molecular Properties

• Compound Name: N-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-2-methylpropyl]-5-(2-hydroxyethoxy)pentanamide
• PubChem CID: 126718517
• Molecular Formula: C24H45N3O10
• Molecular Weight: 535.64 g/mol
• Exact Mass: 535.31
• IUPAC Name: N-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-2-methylpropyl]-5-(2-hydroxyethoxy)pentanamide
• SMILES: CC(=O)NC1C(OCCCCC(=O)NCC(C)CNC(=O)CCCCOCCO)OC(CO)C(O)C1O
• InChI: InChI=1S/C24H45N3O10/c1-16(13-25-19(31)7-3-5-10-35-12-9-28)14-26-20(32)8-4-6-11-36-24-21(27-17(2)30)23(34)22(33)18(15-29)37-24/h16,18,21-24,28-29,33-34H,3-15H2,1-2H3,(H,25,31)(H,26,32)(H,27,30)
• InChIKey: AHGKFMKBPGFPCU-UHFFFAOYSA-N
• XLogP: -1.84
• TPSA: 195.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.64
LogP ≤ 5	-1.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-2-methylpropyl]-5-(2-hydroxyethoxy)pentanamide?

The IUPAC name of N-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-2-methylpropyl]-5-(2-hydroxyethoxy)pentanamide (CID 126718517) is N-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-2-methylpropyl]-5-(2-hydroxyethoxy)pentanamide.

What is the SMILES notation for N-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-2-methylpropyl]-5-(2-hydroxyethoxy)pentanamide?

The canonical SMILES for N-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-2-methylpropyl]-5-(2-hydroxyethoxy)pentanamide is CC(=O)NC1C(OCCCCC(=O)NCC(C)CNC(=O)CCCCOCCO)OC(CO)C(O)C1O.

What is the InChIKey of N-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-2-methylpropyl]-5-(2-hydroxyethoxy)pentanamide?

The InChIKey is AHGKFMKBPGFPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N3O10/c1-16(13-25-19(31)7-3-5-10-35-12-9-28)14-26-20(32)8-4-6-11-36-24-21(27-17(2)30)23(34)22(33)18(15-29)37-24/h16,18,21-24,28-29,33-34H,3-15H2,1-2H3,(H,25,31)(H,26,32)(H,27,30).

What are the key properties of N-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-2-methylpropyl]-5-(2-hydroxyethoxy)pentanamide?

N-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-2-methylpropyl]-5-(2-hydroxyethoxy)pentanamide has a molecular weight of 535.64 g/mol, XLogP of -1.84, 19 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-2-methylpropyl]-5-(2-hydroxyethoxy)pentanamide is sourced from PubChem (CID 126718517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).