3-[2,2-bis[[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]butoxy]-N-[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]propanamide;ethoxy-methoxy-methylidene-oxido-λ5-phosphane;2H-triazole

C104H191N13O27P- — CID 159319518

About 3-[2,2-bis[[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]butoxy]-N-[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]propanamide;ethoxy-methoxy-methylidene-oxido-λ5-phosphane;2H-triazole

3-[2,2-bis[[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]butoxy]-N-[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]propanamide;ethoxy-methoxy-methylidene-oxido-λ5-phosphane;2H-triazole (PubChem CID 159319518) has the molecular formula C104H191N13O27P- and a molecular weight of 2086.71 g/mol. Its IUPAC name is 3-[2,2-bis[[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]butoxy]-N-[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]propanamide;ethoxy-methoxy-methylidene-oxido-λ5-phosphane;2H-triazole.

Molecular Properties

• Compound Name: 3-[2,2-bis[[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]butoxy]-N-[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]propanamide;ethoxy-methoxy-methylidene-oxido-λ5-phosphane;2H-triazole
• PubChem CID: 159319518
• Molecular Formula: C104H191N13O27P-
• Molecular Weight: 2086.71 g/mol
• Exact Mass: 2085.37
• IUPAC Name: 3-[2,2-bis[[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]butoxy]-N-[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]propanamide;ethoxy-methoxy-methylidene-oxido-λ5-phosphane;2H-triazole
• SMILES: C=P([O-])(OC)OCC.CCC1O[C@H](OCCOCCOCCOCCN2C=C(CCC(=O)CCCCCC(=O)CCOCC(CC)(COCCC(=O)CCCCCC(=O)CCC3=CN(CCOCCOCCOCCO[C@H]4OC(CC)[C@@H](C)[C@H](C)C4C)NN3)COCCC(=O)NCCCCC(=O)CCC3=CN(CCOCCOCCOCCO[C@H]4OC(CC)[C@@H](C)[C@H](C)C4C)NN3)NN2)C(C)[C@@H](C)[C@@H]1C.c1cn[nH]n1
• InChI: InChI=1S/C98H178N10O24.C4H10O3P.C2H3N3/c1-14-91-77(8)74(5)80(11)95(130-91)127-65-62-121-59-56-118-53-50-115-47-41-106-68-83(100-103-106)31-34-86(109)26-20-18-22-28-89(112)37-44-124-71-98(17-4,72-125-45-38-90(113)29-23-19-21-27-87(110)35-32-84-69-107(104-101-84)42-48-116-51-54-119-57-60-122-63-66-128-96-81(12)75(6)78(9)92(15-2)131-96)73-126-46-39-94(114)99-40-25-24-30-88(111)36-33-85-70-108(105-102-85)43-49-117-52-55-120-58-61-123-64-67-129-97-82(13)76(7)79(10)93(16-3)132-97;1-4-7-8(3,5)6-2;1-2-4-5-3-1/h68-70,74-82,91-93,95-97,100-105H,14-67,71-73H2,1-13H3,(H,99,114);3-4H2,1-2H3;1-2H,(H,3,4,5)/q;-1;/t74-,75-,76-,77-,78-,79-,80?,81?,82?,91?,92?,93?,95-,96-,97-,98?;;/m0../s1
• InChIKey: LDOOTQMRNXYHFQ-ZRKMUWAGSA-N
• XLogP: 11.83
• TPSA: 445.58 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 87
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2086.71
LogP ≤ 5	11.83
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

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 3-[2,2-bis[[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]butoxy]-N-[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]propanamide;ethoxy-methoxy-methylidene-oxido-λ5-phosphane;2H-triazole?

The IUPAC name of 3-[2,2-bis[[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]butoxy]-N-[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]propanamide;ethoxy-methoxy-methylidene-oxido-λ5-phosphane;2H-triazole (CID 159319518) is 3-[2,2-bis[[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]butoxy]-N-[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]propanamide;ethoxy-methoxy-methylidene-oxido-λ5-phosphane;2H-triazole.

What is the SMILES notation for 3-[2,2-bis[[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]butoxy]-N-[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]propanamide;ethoxy-methoxy-methylidene-oxido-λ5-phosphane;2H-triazole?

The canonical SMILES for 3-[2,2-bis[[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]butoxy]-N-[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]propanamide;ethoxy-methoxy-methylidene-oxido-λ5-phosphane;2H-triazole is C=P([O-])(OC)OCC.CCC1O[C@H](OCCOCCOCCOCCN2C=C(CCC(=O)CCCCCC(=O)CCOCC(CC)(COCCC(=O)CCCCCC(=O)CCC3=CN(CCOCCOCCOCCO[C@H]4OC(CC)[C@@H](C)[C@H](C)C4C)NN3)COCCC(=O)NCCCCC(=O)CCC3=CN(CCOCCOCCOCCO[C@H]4OC(CC)[C@@H](C)[C@H](C)C4C)NN3)NN2)C(C)[C@@H](C)[C@@H]1C.c1cn[nH]n1.

What is the InChIKey of 3-[2,2-bis[[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]butoxy]-N-[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]propanamide;ethoxy-methoxy-methylidene-oxido-λ5-phosphane;2H-triazole?

The InChIKey is LDOOTQMRNXYHFQ-ZRKMUWAGSA-N. The full InChI is InChI=1S/C98H178N10O24.C4H10O3P.C2H3N3/c1-14-91-77(8)74(5)80(11)95(130-91)127-65-62-121-59-56-118-53-50-115-47-41-106-68-83(100-103-106)31-34-86(109)26-20-18-22-28-89(112)37-44-124-71-98(17-4,72-125-45-38-90(113)29-23-19-21-27-87(110)35-32-84-69-107(104-101-84)42-48-116-51-54-119-57-60-122-63-66-128-96-81(12)75(6)78(9)92(15-2)131-96)73-126-46-39-94(114)99-40-25-24-30-88(111)36-33-85-70-108(105-102-85)43-49-117-52-55-120-58-61-123-64-67-129-97-82(13)76(7)79(10)93(16-3)132-97;1-4-7-8(3,5)6-2;1-2-4-5-3-1/h68-70,74-82,91-93,95-97,100-105H,14-67,71-73H2,1-13H3,(H,99,114);3-4H2,1-2H3;1-2H,(H,3,4,5)/q;-1;/t74-,75-,76-,77-,78-,79-,80?,81?,82?,91?,92?,93?,95-,96-,97-,98?;;/m0../s1.

What are the key properties of 3-[2,2-bis[[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]butoxy]-N-[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]propanamide;ethoxy-methoxy-methylidene-oxido-λ5-phosphane;2H-triazole?

3-[2,2-bis[[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]butoxy]-N-[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]propanamide;ethoxy-methoxy-methylidene-oxido-λ5-phosphane;2H-triazole has a molecular weight of 2086.71 g/mol, XLogP of 11.83, 87 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,2-bis[[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]butoxy]-N-[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]propanamide;ethoxy-methoxy-methylidene-oxido-λ5-phosphane;2H-triazole is sourced from PubChem (CID 159319518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).