azanium;2-[[2-[2-[2-[[6-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-5-[bis[2-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate;azane

C99H190N11O39P — CID 172880631

About azanium;2-[[2-[2-[2-[[6-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-5-[bis[2-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate;azane

azanium;2-[[2-[2-[2-[[6-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-5-[bis[2-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate;azane (PubChem CID 172880631) has the molecular formula C99H190N11O39P and a molecular weight of 2189.62 g/mol. Its IUPAC name is azanium;2-[[2-[2-[2-[[6-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-5-[bis[2-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate;azane.

Molecular Properties

• Compound Name: azanium;2-[[2-[2-[2-[[6-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-5-[bis[2-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate;azane
• PubChem CID: 172880631
• Molecular Formula: C99H190N11O39P
• Molecular Weight: 2189.62 g/mol
• Exact Mass: 2188.30
• IUPAC Name: azanium;2-[[2-[2-[2-[[6-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-5-[bis[2-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate;azane
• SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)COCCOCC(=O)NCCCCC(C(=O)NCCOCCOCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O)N(CC(=O)NCCOCCOCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O)CC(=O)NCCOCCOCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O)OC(=O)CCCCCCCCCCCCCCCCC.N.[NH4+]
• InChI: InChI=1S/C99H184N9O39P.2H3N/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39-85(119)141-69-76(144-86(120)40-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)70-143-148(128,129)142-49-45-103-84(118)72-137-57-56-136-71-83(117)100-41-37-36-38-77(96(127)104-44-48-132-52-55-135-60-63-140-99-89(107-75(5)114)95(126)92(123)80(68-111)147-99)108(64-81(115)101-42-46-130-50-53-133-58-61-138-97-87(105-73(3)112)93(124)90(121)78(66-109)145-97)65-82(116)102-43-47-131-51-54-134-59-62-139-98-88(106-74(4)113)94(125)91(122)79(67-110)146-98;;/h76-80,87-95,97-99,109-111,121-126H,6-72H2,1-5H3,(H,100,117)(H,101,115)(H,102,116)(H,103,118)(H,104,127)(H,105,112)(H,106,113)(H,107,114)(H,128,129);2*1H3/t76-,77?,78+,79+,80+,87+,88+,89+,90-,91-,92-,93+,94+,95+,97+,98+,99+;;/m1../s1
• InChIKey: MOIJTESHIJEHHP-UYKAYZGUSA-N
• XLogP: 1.44
• TPSA: 730.02 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 41
• Rotatable Bonds: 96
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2189.62
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	41

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 azanium;2-[[2-[2-[2-[[6-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-5-[bis[2-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate;azane?

The IUPAC name of azanium;2-[[2-[2-[2-[[6-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-5-[bis[2-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate;azane (CID 172880631) is azanium;2-[[2-[2-[2-[[6-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-5-[bis[2-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate;azane.

What is the SMILES notation for azanium;2-[[2-[2-[2-[[6-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-5-[bis[2-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate;azane?

The canonical SMILES for azanium;2-[[2-[2-[2-[[6-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-5-[bis[2-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate;azane is CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)COCCOCC(=O)NCCCCC(C(=O)NCCOCCOCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O)N(CC(=O)NCCOCCOCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O)CC(=O)NCCOCCOCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O)OC(=O)CCCCCCCCCCCCCCCCC.N.[NH4+].

What is the InChIKey of azanium;2-[[2-[2-[2-[[6-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-5-[bis[2-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate;azane?

The InChIKey is MOIJTESHIJEHHP-UYKAYZGUSA-N. The full InChI is InChI=1S/C99H184N9O39P.2H3N/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39-85(119)141-69-76(144-86(120)40-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)70-143-148(128,129)142-49-45-103-84(118)72-137-57-56-136-71-83(117)100-41-37-36-38-77(96(127)104-44-48-132-52-55-135-60-63-140-99-89(107-75(5)114)95(126)92(123)80(68-111)147-99)108(64-81(115)101-42-46-130-50-53-133-58-61-138-97-87(105-73(3)112)93(124)90(121)78(66-109)145-97)65-82(116)102-43-47-131-51-54-134-59-62-139-98-88(106-74(4)113)94(125)91(122)79(67-110)146-98;;/h76-80,87-95,97-99,109-111,121-126H,6-72H2,1-5H3,(H,100,117)(H,101,115)(H,102,116)(H,103,118)(H,104,127)(H,105,112)(H,106,113)(H,107,114)(H,128,129);2*1H3/t76-,77?,78+,79+,80+,87+,88+,89+,90-,91-,92-,93+,94+,95+,97+,98+,99+;;/m1../s1.

What are the key properties of azanium;2-[[2-[2-[2-[[6-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-5-[bis[2-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate;azane?

azanium;2-[[2-[2-[2-[[6-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-5-[bis[2-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate;azane has a molecular weight of 2189.62 g/mol, XLogP of 1.44, 96 rotatable bonds, 19 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for azanium;2-[[2-[2-[2-[[6-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-5-[bis[2-[2-[2-[2-[(2S,3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]acetyl]amino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate;azane is sourced from PubChem (CID 172880631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).