[5-hydrazinylidene-6-[6-oxo-6-[[1-[3-oxo-3-[3-[3-[3-[2-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]propanoylamino]propylamino]propoxy]-3-[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]methyl]propan-2-yl]amino]hexyl]iminohexyl] methyl phosphate

C92H169N19O41P- — CID 164996184

About [5-hydrazinylidene-6-[6-oxo-6-[[1-[3-oxo-3-[3-[3-[3-[2-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]propanoylamino]propylamino]propoxy]-3-[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]methyl]propan-2-yl]amino]hexyl]iminohexyl] methyl phosphate

[5-hydrazinylidene-6-[6-oxo-6-[[1-[3-oxo-3-[3-[3-[3-[2-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]propanoylamino]propylamino]propoxy]-3-[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]methyl]propan-2-yl]amino]hexyl]iminohexyl] methyl phosphate (PubChem CID 164996184) has the molecular formula C92H169N19O41P- and a molecular weight of 2228.43 g/mol. Its IUPAC name is [5-hydrazinylidene-6-[6-oxo-6-[[1-[3-oxo-3-[3-[3-[3-[2-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]propanoylamino]propylamino]propoxy]-3-[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]methyl]propan-2-yl]amino]hexyl]iminohexyl] methyl phosphate.

Molecular Properties

• Compound Name: [5-hydrazinylidene-6-[6-oxo-6-[[1-[3-oxo-3-[3-[3-[3-[2-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]propanoylamino]propylamino]propoxy]-3-[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]methyl]propan-2-yl]amino]hexyl]iminohexyl] methyl phosphate
• PubChem CID: 164996184
• Molecular Formula: C92H169N19O41P-
• Molecular Weight: 2228.43 g/mol
• Exact Mass: 2227.15
• IUPAC Name: [5-hydrazinylidene-6-[6-oxo-6-[[1-[3-oxo-3-[3-[3-[3-[2-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]propanoylamino]propylamino]propoxy]-3-[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]methyl]propan-2-yl]amino]hexyl]iminohexyl] methyl phosphate
• SMILES: COP(=O)([O-])OCCCCC(/C=N/CCCCCC(=O)NC(COCCC(=O)NCCCNC(=O)CCC1=CN(CCOCCOCCOCCO[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)NN1)(COCCC(=O)NCCCNC(=O)CCC1=CN(CCOCCOCCOCCO[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)NN1)COCCC(=O)NCCCNC(=O)CCC1=CN(CCOCCOCCOCCO[C@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)NN1)=NN
• InChI: InChI=1S/C92H170N19O41P/c1-133-153(131,132)149-31-6-4-10-66(102-93)56-94-21-5-2-3-11-79(121)101-92(63-143-32-18-76(118)98-25-7-22-95-73(115)15-12-67-57-109(106-103-67)28-35-134-38-41-137-44-47-140-50-53-146-89-86(128)83(125)80(122)70(60-112)150-89,64-144-33-19-77(119)99-26-8-23-96-74(116)16-13-68-58-110(107-104-68)29-36-135-39-42-138-45-48-141-51-54-147-90-87(129)84(126)81(123)71(61-113)151-90)65-145-34-20-78(120)100-27-9-24-97-75(117)17-14-69-59-111(108-105-69)30-37-136-40-43-139-46-49-142-52-55-148-91-88(130)85(127)82(124)72(62-114)152-91/h56-59,70-72,80-91,103-108,112-114,122-130H,2-55,60-65,93H2,1H3,(H,95,115)(H,96,116)(H,97,117)(H,98,118)(H,99,119)(H,100,120)(H,101,121)(H,131,132)/p-1/b94-56+,102-66?/t70?,71?,72?,80-,81-,82-,83+,84+,85?,86?,87?,88-,89+,90+,91+,92?/m1/s1
• InChIKey: FQDCJXOZGPQMCT-AWFWTGKJSA-M
• XLogP: -10.39
• TPSA: 803.83 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 53
• Rotatable Bonds: 93
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2228.43
LogP ≤ 5	-10.39
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-hydrazinylidene-6-[6-oxo-6-[[1-[3-oxo-3-[3-[3-[3-[2-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]propanoylamino]propylamino]propoxy]-3-[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]methyl]propan-2-yl]amino]hexyl]iminohexyl] methyl phosphate?

The IUPAC name of [5-hydrazinylidene-6-[6-oxo-6-[[1-[3-oxo-3-[3-[3-[3-[2-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]propanoylamino]propylamino]propoxy]-3-[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]methyl]propan-2-yl]amino]hexyl]iminohexyl] methyl phosphate (CID 164996184) is [5-hydrazinylidene-6-[6-oxo-6-[[1-[3-oxo-3-[3-[3-[3-[2-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]propanoylamino]propylamino]propoxy]-3-[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]methyl]propan-2-yl]amino]hexyl]iminohexyl] methyl phosphate.

What is the SMILES notation for [5-hydrazinylidene-6-[6-oxo-6-[[1-[3-oxo-3-[3-[3-[3-[2-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]propanoylamino]propylamino]propoxy]-3-[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]methyl]propan-2-yl]amino]hexyl]iminohexyl] methyl phosphate?

The canonical SMILES for [5-hydrazinylidene-6-[6-oxo-6-[[1-[3-oxo-3-[3-[3-[3-[2-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]propanoylamino]propylamino]propoxy]-3-[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]methyl]propan-2-yl]amino]hexyl]iminohexyl] methyl phosphate is COP(=O)([O-])OCCCCC(/C=N/CCCCCC(=O)NC(COCCC(=O)NCCCNC(=O)CCC1=CN(CCOCCOCCOCCO[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)NN1)(COCCC(=O)NCCCNC(=O)CCC1=CN(CCOCCOCCOCCO[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)NN1)COCCC(=O)NCCCNC(=O)CCC1=CN(CCOCCOCCOCCO[C@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)NN1)=NN.

What is the InChIKey of [5-hydrazinylidene-6-[6-oxo-6-[[1-[3-oxo-3-[3-[3-[3-[2-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]propanoylamino]propylamino]propoxy]-3-[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]methyl]propan-2-yl]amino]hexyl]iminohexyl] methyl phosphate?

The InChIKey is FQDCJXOZGPQMCT-AWFWTGKJSA-M. The full InChI is InChI=1S/C92H170N19O41P/c1-133-153(131,132)149-31-6-4-10-66(102-93)56-94-21-5-2-3-11-79(121)101-92(63-143-32-18-76(118)98-25-7-22-95-73(115)15-12-67-57-109(106-103-67)28-35-134-38-41-137-44-47-140-50-53-146-89-86(128)83(125)80(122)70(60-112)150-89,64-144-33-19-77(119)99-26-8-23-96-74(116)16-13-68-58-110(107-104-68)29-36-135-39-42-138-45-48-141-51-54-147-90-87(129)84(126)81(123)71(61-113)151-90)65-145-34-20-78(120)100-27-9-24-97-75(117)17-14-69-59-111(108-105-69)30-37-136-40-43-139-46-49-142-52-55-148-91-88(130)85(127)82(124)72(62-114)152-91/h56-59,70-72,80-91,103-108,112-114,122-130H,2-55,60-65,93H2,1H3,(H,95,115)(H,96,116)(H,97,117)(H,98,118)(H,99,119)(H,100,120)(H,101,121)(H,131,132)/p-1/b94-56+,102-66?/t70?,71?,72?,80-,81-,82-,83+,84+,85?,86?,87?,88-,89+,90+,91+,92?/m1/s1.

What are the key properties of [5-hydrazinylidene-6-[6-oxo-6-[[1-[3-oxo-3-[3-[3-[3-[2-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]propanoylamino]propylamino]propoxy]-3-[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]methyl]propan-2-yl]amino]hexyl]iminohexyl] methyl phosphate?

[5-hydrazinylidene-6-[6-oxo-6-[[1-[3-oxo-3-[3-[3-[3-[2-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]propanoylamino]propylamino]propoxy]-3-[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]methyl]propan-2-yl]amino]hexyl]iminohexyl] methyl phosphate has a molecular weight of 2228.43 g/mol, XLogP of -10.39, 93 rotatable bonds, 26 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for [5-hydrazinylidene-6-[6-oxo-6-[[1-[3-oxo-3-[3-[3-[3-[2-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1,2-dihydrotriazol-5-yl]propanoylamino]propylamino]propoxy]-3-[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[3-[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]propanoylamino]propylamino]propoxy]methyl]propan-2-yl]amino]hexyl]iminohexyl] methyl phosphate is sourced from PubChem (CID 164996184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).