N-[1-[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]-2-[[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]methyl]-3-[3-[[7-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-5-oxoheptyl]amino]-3-oxopropoxy]propan-2-yl]-6-[4-[4-(methoxy-methylidene-oxido-λ5-phosphanyl)oxybutyl]triazol-1-yl]hexanamide

C110H198N14O28P- — CID 159769651

About N-[1-[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]-2-[[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]methyl]-3-[3-[[7-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-5-oxoheptyl]amino]-3-oxopropoxy]propan-2-yl]-6-[4-[4-(methoxy-methylidene-oxido-λ5-phosphanyl)oxybutyl]triazol-1-yl]hexanamide

N-[1-[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]-2-[[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]methyl]-3-[3-[[7-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-5-oxoheptyl]amino]-3-oxopropoxy]propan-2-yl]-6-[4-[4-(methoxy-methylidene-oxido-λ5-phosphanyl)oxybutyl]triazol-1-yl]hexanamide (PubChem CID 159769651) has the molecular formula C110H198N14O28P- and a molecular weight of 2195.84 g/mol. Its IUPAC name is N-[1-[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]-2-[[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]methyl]-3-[3-[[7-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-5-oxoheptyl]amino]-3-oxopropoxy]propan-2-yl]-6-[4-[4-(methoxy-methylidene-oxido-λ5-phosphanyl)oxybutyl]triazol-1-yl]hexanamide.

Molecular Properties

• Compound Name: N-[1-[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]-2-[[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]methyl]-3-[3-[[7-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-5-oxoheptyl]amino]-3-oxopropoxy]propan-2-yl]-6-[4-[4-(methoxy-methylidene-oxido-λ5-phosphanyl)oxybutyl]triazol-1-yl]hexanamide
• PubChem CID: 159769651
• Molecular Formula: C110H198N14O28P-
• Molecular Weight: 2195.84 g/mol
• Exact Mass: 2194.42
• IUPAC Name: N-[1-[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]-2-[[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]methyl]-3-[3-[[7-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-5-oxoheptyl]amino]-3-oxopropoxy]propan-2-yl]-6-[4-[4-(methoxy-methylidene-oxido-λ5-phosphanyl)oxybutyl]triazol-1-yl]hexanamide
• SMILES: C=P([O-])(OC)OCCCCc1cn(CCCCCC(=O)NC(COCCC(=O)CCCCCC(=O)CCC2=CN(CCOCCOCCOCCO[C@H]3OC(CC)[C@@H](C)[C@H](C)C3C)NN2)(COCCC(=O)CCCCCC(=O)CCC2=CN(CCOCCOCCOCCO[C@H]3OC(CC)[C@@H](C)[C@H](C)C3C)NN2)COCCC(=O)NCCCCC(=O)CCC2=CN(CCOCCOCCOCCO[C@H]3OC(CC)[C@@H](C)[C@H](C)C3C)NN2)nn1
• InChI: InChI=1S/C110H198N14O28P/c1-15-102-87(7)84(4)90(10)107(150-102)146-74-71-140-68-65-137-62-59-134-56-49-122-78-94(114-118-122)38-41-97(125)32-21-18-23-34-100(128)44-53-143-81-110(112-106(131)37-25-20-29-48-121-77-93(113-117-121)31-27-30-52-149-153(14,132)133-13,82-144-54-45-101(129)35-24-19-22-33-98(126)42-39-95-79-123(119-115-95)50-57-135-60-63-138-66-69-141-72-75-147-108-91(11)85(5)88(8)103(16-2)151-108)83-145-55-46-105(130)111-47-28-26-36-99(127)43-40-96-80-124(120-116-96)51-58-136-61-64-139-67-70-142-73-76-148-109-92(12)86(6)89(9)104(17-3)152-109/h77-80,84-92,102-104,107-109,114-116,118-120H,14-76,81-83H2,1-13H3,(H2-,111,112,130,131,132)/q-1/t84-,85-,86-,87-,88-,89-,90?,91?,92?,102?,103?,104?,107-,108-,109-,110?,153?/m0/s1
• InChIKey: NFYLHFFDRONHSB-GOTGHQKFSA-N
• XLogP: 11.66
• TPSA: 463.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 97
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2195.84
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]-2-[[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]methyl]-3-[3-[[7-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-5-oxoheptyl]amino]-3-oxopropoxy]propan-2-yl]-6-[4-[4-(methoxy-methylidene-oxido-λ5-phosphanyl)oxybutyl]triazol-1-yl]hexanamide?

The IUPAC name of N-[1-[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]-2-[[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]methyl]-3-[3-[[7-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-5-oxoheptyl]amino]-3-oxopropoxy]propan-2-yl]-6-[4-[4-(methoxy-methylidene-oxido-λ5-phosphanyl)oxybutyl]triazol-1-yl]hexanamide (CID 159769651) is N-[1-[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]-2-[[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]methyl]-3-[3-[[7-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-5-oxoheptyl]amino]-3-oxopropoxy]propan-2-yl]-6-[4-[4-(methoxy-methylidene-oxido-λ5-phosphanyl)oxybutyl]triazol-1-yl]hexanamide.

What is the SMILES notation for N-[1-[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]-2-[[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]methyl]-3-[3-[[7-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-5-oxoheptyl]amino]-3-oxopropoxy]propan-2-yl]-6-[4-[4-(methoxy-methylidene-oxido-λ5-phosphanyl)oxybutyl]triazol-1-yl]hexanamide?

The canonical SMILES for N-[1-[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]-2-[[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]methyl]-3-[3-[[7-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-5-oxoheptyl]amino]-3-oxopropoxy]propan-2-yl]-6-[4-[4-(methoxy-methylidene-oxido-λ5-phosphanyl)oxybutyl]triazol-1-yl]hexanamide is C=P([O-])(OC)OCCCCc1cn(CCCCCC(=O)NC(COCCC(=O)CCCCCC(=O)CCC2=CN(CCOCCOCCOCCO[C@H]3OC(CC)[C@@H](C)[C@H](C)C3C)NN2)(COCCC(=O)CCCCCC(=O)CCC2=CN(CCOCCOCCOCCO[C@H]3OC(CC)[C@@H](C)[C@H](C)C3C)NN2)COCCC(=O)NCCCCC(=O)CCC2=CN(CCOCCOCCOCCO[C@H]3OC(CC)[C@@H](C)[C@H](C)C3C)NN2)nn1.

What is the InChIKey of N-[1-[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]-2-[[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]methyl]-3-[3-[[7-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-5-oxoheptyl]amino]-3-oxopropoxy]propan-2-yl]-6-[4-[4-(methoxy-methylidene-oxido-λ5-phosphanyl)oxybutyl]triazol-1-yl]hexanamide?

The InChIKey is NFYLHFFDRONHSB-GOTGHQKFSA-N. The full InChI is InChI=1S/C110H198N14O28P/c1-15-102-87(7)84(4)90(10)107(150-102)146-74-71-140-68-65-137-62-59-134-56-49-122-78-94(114-118-122)38-41-97(125)32-21-18-23-34-100(128)44-53-143-81-110(112-106(131)37-25-20-29-48-121-77-93(113-117-121)31-27-30-52-149-153(14,132)133-13,82-144-54-45-101(129)35-24-19-22-33-98(126)42-39-95-79-123(119-115-95)50-57-135-60-63-138-66-69-141-72-75-147-108-91(11)85(5)88(8)103(16-2)151-108)83-145-55-46-105(130)111-47-28-26-36-99(127)43-40-96-80-124(120-116-96)51-58-136-61-64-139-67-70-142-73-76-148-109-92(12)86(6)89(9)104(17-3)152-109/h77-80,84-92,102-104,107-109,114-116,118-120H,14-76,81-83H2,1-13H3,(H2-,111,112,130,131,132)/q-1/t84-,85-,86-,87-,88-,89-,90?,91?,92?,102?,103?,104?,107-,108-,109-,110?,153?/m0/s1.

What are the key properties of N-[1-[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]-2-[[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]methyl]-3-[3-[[7-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-5-oxoheptyl]amino]-3-oxopropoxy]propan-2-yl]-6-[4-[4-(methoxy-methylidene-oxido-λ5-phosphanyl)oxybutyl]triazol-1-yl]hexanamide?

N-[1-[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]-2-[[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]methyl]-3-[3-[[7-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-5-oxoheptyl]amino]-3-oxopropoxy]propan-2-yl]-6-[4-[4-(methoxy-methylidene-oxido-λ5-phosphanyl)oxybutyl]triazol-1-yl]hexanamide has a molecular weight of 2195.84 g/mol, XLogP of 11.66, 97 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]-2-[[11-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-3,9-dioxoundecoxy]methyl]-3-[3-[[7-[3-[2-[2-[2-[2-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]-5-oxoheptyl]amino]-3-oxopropoxy]propan-2-yl]-6-[4-[4-(methoxy-methylidene-oxido-λ5-phosphanyl)oxybutyl]triazol-1-yl]hexanamide is sourced from PubChem (CID 159769651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).