methyl N-[6-oxo-6-[3-[2-[6-oxo-6-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]hexoxy]ethoxy]propylamino]hexyl]carbamate

C31H59N3O14 — CID 163450480

About methyl N-[6-oxo-6-[3-[2-[6-oxo-6-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]hexoxy]ethoxy]propylamino]hexyl]carbamate

methyl N-[6-oxo-6-[3-[2-[6-oxo-6-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]hexoxy]ethoxy]propylamino]hexyl]carbamate (PubChem CID 163450480) has the molecular formula C31H59N3O14 and a molecular weight of 697.82 g/mol. Its IUPAC name is methyl N-[6-oxo-6-[3-[2-[6-oxo-6-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]hexoxy]ethoxy]propylamino]hexyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[6-oxo-6-[3-[2-[6-oxo-6-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]hexoxy]ethoxy]propylamino]hexyl]carbamate
• PubChem CID: 163450480
• Molecular Formula: C31H59N3O14
• Molecular Weight: 697.82 g/mol
• Exact Mass: 697.40
• IUPAC Name: methyl N-[6-oxo-6-[3-[2-[6-oxo-6-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]hexoxy]ethoxy]propylamino]hexyl]carbamate
• SMILES: COC(=O)NCCCCCC(=O)NCCCOCCOCCCCCC(=O)NCCOCCOCCO[C@H]1OC(CO)[C@@H](O)C(O)C1O
• InChI: InChI=1S/C31H59N3O14/c1-42-31(41)34-11-6-2-4-9-25(36)32-12-8-15-44-18-17-43-14-7-3-5-10-26(37)33-13-16-45-19-20-46-21-22-47-30-29(40)28(39)27(38)24(23-35)48-30/h24,27-30,35,38-40H,2-23H2,1H3,(H,32,36)(H,33,37)(H,34,41)/t24?,27-,28?,29?,30+/m1/s1
• InChIKey: BGDXMJUYOZAMIP-AOUSWQNUSA-N
• XLogP: -1.03
• TPSA: 232.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 30
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	697.82
LogP ≤ 5	-1.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-oxo-6-[3-[2-[6-oxo-6-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]hexoxy]ethoxy]propylamino]hexyl]carbamate?

The IUPAC name of methyl N-[6-oxo-6-[3-[2-[6-oxo-6-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]hexoxy]ethoxy]propylamino]hexyl]carbamate (CID 163450480) is methyl N-[6-oxo-6-[3-[2-[6-oxo-6-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]hexoxy]ethoxy]propylamino]hexyl]carbamate.

What is the SMILES notation for methyl N-[6-oxo-6-[3-[2-[6-oxo-6-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]hexoxy]ethoxy]propylamino]hexyl]carbamate?

The canonical SMILES for methyl N-[6-oxo-6-[3-[2-[6-oxo-6-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]hexoxy]ethoxy]propylamino]hexyl]carbamate is COC(=O)NCCCCCC(=O)NCCCOCCOCCCCCC(=O)NCCOCCOCCO[C@H]1OC(CO)[C@@H](O)C(O)C1O.

What is the InChIKey of methyl N-[6-oxo-6-[3-[2-[6-oxo-6-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]hexoxy]ethoxy]propylamino]hexyl]carbamate?

The InChIKey is BGDXMJUYOZAMIP-AOUSWQNUSA-N. The full InChI is InChI=1S/C31H59N3O14/c1-42-31(41)34-11-6-2-4-9-25(36)32-12-8-15-44-18-17-43-14-7-3-5-10-26(37)33-13-16-45-19-20-46-21-22-47-30-29(40)28(39)27(38)24(23-35)48-30/h24,27-30,35,38-40H,2-23H2,1H3,(H,32,36)(H,33,37)(H,34,41)/t24?,27-,28?,29?,30+/m1/s1.

What are the key properties of methyl N-[6-oxo-6-[3-[2-[6-oxo-6-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]hexoxy]ethoxy]propylamino]hexyl]carbamate?

methyl N-[6-oxo-6-[3-[2-[6-oxo-6-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]hexoxy]ethoxy]propylamino]hexyl]carbamate has a molecular weight of 697.82 g/mol, XLogP of -1.03, 30 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[6-oxo-6-[3-[2-[6-oxo-6-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]hexoxy]ethoxy]propylamino]hexyl]carbamate is sourced from PubChem (CID 163450480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).