3-[2-[5,11-dioxo-13-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]tridecyl]-7,13-dioxo-2-propan-2-yl-15-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]pentadecoxy]-N-[5-oxo-7-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]heptyl]propanamide

C89H160N10O34 — CID 158264927

About 3-[2-[5,11-dioxo-13-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]tridecyl]-7,13-dioxo-2-propan-2-yl-15-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]pentadecoxy]-N-[5-oxo-7-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]heptyl]propanamide

3-[2-[5,11-dioxo-13-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]tridecyl]-7,13-dioxo-2-propan-2-yl-15-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]pentadecoxy]-N-[5-oxo-7-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]heptyl]propanamide (PubChem CID 158264927) has the molecular formula C89H160N10O34 and a molecular weight of 1914.30 g/mol. Its IUPAC name is 3-[2-[5,11-dioxo-13-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]tridecyl]-7,13-dioxo-2-propan-2-yl-15-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]pentadecoxy]-N-[5-oxo-7-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]heptyl]propanamide.

Molecular Properties

• Compound Name: 3-[2-[5,11-dioxo-13-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]tridecyl]-7,13-dioxo-2-propan-2-yl-15-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]pentadecoxy]-N-[5-oxo-7-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]heptyl]propanamide
• PubChem CID: 158264927
• Molecular Formula: C89H160N10O34
• Molecular Weight: 1914.30 g/mol
• Exact Mass: 1913.11
• IUPAC Name: 3-[2-[5,11-dioxo-13-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]tridecyl]-7,13-dioxo-2-propan-2-yl-15-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]pentadecoxy]-N-[5-oxo-7-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]heptyl]propanamide
• SMILES: CC(C)C(CCCCC(=O)CCCCCC(=O)CCC1=CN(CCOCCOCCOCCO[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)NN1)(CCCCC(=O)CCCCCC(=O)CCC1=CN(CCOCCOCCOCCO[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)NN1)COCCC(=O)NCCCCC(=O)CCC1=CN(CCOCCOCCOCCO[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)NN1
• InChI: InChI=1S/C89H160N10O34/c1-64(2)89(29-12-9-19-68(103)15-5-3-7-17-70(105)25-22-65-57-97(94-91-65)32-36-118-39-42-121-45-48-124-51-54-128-86-83(115)80(112)77(109)73(60-100)131-86,30-13-10-20-69(104)16-6-4-8-18-71(106)26-23-66-58-98(95-92-66)33-37-119-40-43-122-46-49-125-52-55-129-87-84(116)81(113)78(110)74(61-101)132-87)63-127-35-28-76(108)90-31-14-11-21-72(107)27-24-67-59-99(96-93-67)34-38-120-41-44-123-47-50-126-53-56-130-88-85(117)82(114)79(111)75(62-102)133-88/h57-59,64,73-75,77-88,91-96,100-102,109-117H,3-56,60-63H2,1-2H3,(H,90,108)/t73?,74?,75?,77-,78-,79-,80+,81+,82+,83?,84?,85?,86+,87+,88+,89?/m1/s1
• InChIKey: GIHYZQGYPRZDFE-ZLHOHHHISA-N
• XLogP: -1.37
• TPSA: 586.79 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 43
• Rotatable Bonds: 84
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1914.30
LogP ≤ 5	-1.37
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5,11-dioxo-13-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]tridecyl]-7,13-dioxo-2-propan-2-yl-15-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]pentadecoxy]-N-[5-oxo-7-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]heptyl]propanamide?

The IUPAC name of 3-[2-[5,11-dioxo-13-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]tridecyl]-7,13-dioxo-2-propan-2-yl-15-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]pentadecoxy]-N-[5-oxo-7-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]heptyl]propanamide (CID 158264927) is 3-[2-[5,11-dioxo-13-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]tridecyl]-7,13-dioxo-2-propan-2-yl-15-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]pentadecoxy]-N-[5-oxo-7-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]heptyl]propanamide.

What is the SMILES notation for 3-[2-[5,11-dioxo-13-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]tridecyl]-7,13-dioxo-2-propan-2-yl-15-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]pentadecoxy]-N-[5-oxo-7-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]heptyl]propanamide?

The canonical SMILES for 3-[2-[5,11-dioxo-13-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]tridecyl]-7,13-dioxo-2-propan-2-yl-15-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]pentadecoxy]-N-[5-oxo-7-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]heptyl]propanamide is CC(C)C(CCCCC(=O)CCCCCC(=O)CCC1=CN(CCOCCOCCOCCO[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)NN1)(CCCCC(=O)CCCCCC(=O)CCC1=CN(CCOCCOCCOCCO[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)NN1)COCCC(=O)NCCCCC(=O)CCC1=CN(CCOCCOCCOCCO[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)NN1.

What is the InChIKey of 3-[2-[5,11-dioxo-13-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]tridecyl]-7,13-dioxo-2-propan-2-yl-15-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]pentadecoxy]-N-[5-oxo-7-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]heptyl]propanamide?

The InChIKey is GIHYZQGYPRZDFE-ZLHOHHHISA-N. The full InChI is InChI=1S/C89H160N10O34/c1-64(2)89(29-12-9-19-68(103)15-5-3-7-17-70(105)25-22-65-57-97(94-91-65)32-36-118-39-42-121-45-48-124-51-54-128-86-83(115)80(112)77(109)73(60-100)131-86,30-13-10-20-69(104)16-6-4-8-18-71(106)26-23-66-58-98(95-92-66)33-37-119-40-43-122-46-49-125-52-55-129-87-84(116)81(113)78(110)74(61-101)132-87)63-127-35-28-76(108)90-31-14-11-21-72(107)27-24-67-59-99(96-93-67)34-38-120-41-44-123-47-50-126-53-56-130-88-85(117)82(114)79(111)75(62-102)133-88/h57-59,64,73-75,77-88,91-96,100-102,109-117H,3-56,60-63H2,1-2H3,(H,90,108)/t73?,74?,75?,77-,78-,79-,80+,81+,82+,83?,84?,85?,86+,87+,88+,89?/m1/s1.

What are the key properties of 3-[2-[5,11-dioxo-13-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]tridecyl]-7,13-dioxo-2-propan-2-yl-15-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]pentadecoxy]-N-[5-oxo-7-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]heptyl]propanamide?

3-[2-[5,11-dioxo-13-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]tridecyl]-7,13-dioxo-2-propan-2-yl-15-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]pentadecoxy]-N-[5-oxo-7-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]heptyl]propanamide has a molecular weight of 1914.30 g/mol, XLogP of -1.37, 84 rotatable bonds, 19 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[5,11-dioxo-13-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]tridecyl]-7,13-dioxo-2-propan-2-yl-15-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]pentadecoxy]-N-[5-oxo-7-[3-[2-[2-[2-[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]heptyl]propanamide is sourced from PubChem (CID 158264927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).