6-aminohexyl methyl hydrogen phosphate;6-(hexadecanoylamino)hexyl methyl hydrogen phosphate;[2-hexadecanoyloxy-3-[hydroxy-[2-[[5-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-5-oxopentanoyl]amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate;methane

C82H174N4O23P4 — CID 160871759

About 6-aminohexyl methyl hydrogen phosphate;6-(hexadecanoylamino)hexyl methyl hydrogen phosphate;[2-hexadecanoyloxy-3-[hydroxy-[2-[[5-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-5-oxopentanoyl]amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate;methane

6-aminohexyl methyl hydrogen phosphate;6-(hexadecanoylamino)hexyl methyl hydrogen phosphate;[2-hexadecanoyloxy-3-[hydroxy-[2-[[5-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-5-oxopentanoyl]amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate;methane (PubChem CID 160871759) has the molecular formula C82H174N4O23P4 and a molecular weight of 1708.19 g/mol. Its IUPAC name is 6-aminohexyl methyl hydrogen phosphate;6-(hexadecanoylamino)hexyl methyl hydrogen phosphate;[2-hexadecanoyloxy-3-[hydroxy-[2-[[5-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-5-oxopentanoyl]amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate;methane.

Molecular Properties

• Compound Name: 6-aminohexyl methyl hydrogen phosphate;6-(hexadecanoylamino)hexyl methyl hydrogen phosphate;[2-hexadecanoyloxy-3-[hydroxy-[2-[[5-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-5-oxopentanoyl]amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate;methane
• PubChem CID: 160871759
• Molecular Formula: C82H174N4O23P4
• Molecular Weight: 1708.19 g/mol
• Exact Mass: 1707.15
• IUPAC Name: 6-aminohexyl methyl hydrogen phosphate;6-(hexadecanoylamino)hexyl methyl hydrogen phosphate;[2-hexadecanoyloxy-3-[hydroxy-[2-[[5-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-5-oxopentanoyl]amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate;methane
• SMILES: C.C.C.CCCCCCCCCCCCCCCC(=O)NCCCCCCOP(=O)(O)OC.CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCC(=O)NCCCCCCOP(=O)(O)OC)OC(=O)CCCCCCCCCCCCCCC.COP(=O)(O)OCCCCCCN
• InChI: InChI=1S/C49H96N2O14P2.C23H48NO5P.C7H18NO4P.3CH4/c1-4-6-8-10-12-14-16-18-20-22-24-26-30-37-48(54)61-43-45(65-49(55)38-31-27-25-23-21-19-17-15-13-11-9-7-5-2)44-64-67(58,59)63-42-40-51-47(53)36-34-35-46(52)50-39-32-28-29-33-41-62-66(56,57)60-3;1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23(25)24-21-18-15-16-19-22-29-30(26,27)28-2;1-11-13(9,10)12-7-5-3-2-4-6-8;;;/h45H,4-44H2,1-3H3,(H,50,52)(H,51,53)(H,56,57)(H,58,59);3-22H2,1-2H3,(H,24,25)(H,26,27);2-8H2,1H3,(H,9,10);3*1H4
• InChIKey: SLVUOPJHDLEMGQ-UHFFFAOYSA-N
• XLogP: 22.35
• TPSA: 388.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 82
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1708.19
LogP ≤ 5	22.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

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 6-aminohexyl methyl hydrogen phosphate;6-(hexadecanoylamino)hexyl methyl hydrogen phosphate;[2-hexadecanoyloxy-3-[hydroxy-[2-[[5-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-5-oxopentanoyl]amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate;methane?

The IUPAC name of 6-aminohexyl methyl hydrogen phosphate;6-(hexadecanoylamino)hexyl methyl hydrogen phosphate;[2-hexadecanoyloxy-3-[hydroxy-[2-[[5-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-5-oxopentanoyl]amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate;methane (CID 160871759) is 6-aminohexyl methyl hydrogen phosphate;6-(hexadecanoylamino)hexyl methyl hydrogen phosphate;[2-hexadecanoyloxy-3-[hydroxy-[2-[[5-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-5-oxopentanoyl]amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate;methane.

What is the SMILES notation for 6-aminohexyl methyl hydrogen phosphate;6-(hexadecanoylamino)hexyl methyl hydrogen phosphate;[2-hexadecanoyloxy-3-[hydroxy-[2-[[5-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-5-oxopentanoyl]amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate;methane?

The canonical SMILES for 6-aminohexyl methyl hydrogen phosphate;6-(hexadecanoylamino)hexyl methyl hydrogen phosphate;[2-hexadecanoyloxy-3-[hydroxy-[2-[[5-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-5-oxopentanoyl]amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate;methane is C.C.C.CCCCCCCCCCCCCCCC(=O)NCCCCCCOP(=O)(O)OC.CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCC(=O)NCCCCCCOP(=O)(O)OC)OC(=O)CCCCCCCCCCCCCCC.COP(=O)(O)OCCCCCCN.

What is the InChIKey of 6-aminohexyl methyl hydrogen phosphate;6-(hexadecanoylamino)hexyl methyl hydrogen phosphate;[2-hexadecanoyloxy-3-[hydroxy-[2-[[5-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-5-oxopentanoyl]amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate;methane?

The InChIKey is SLVUOPJHDLEMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H96N2O14P2.C23H48NO5P.C7H18NO4P.3CH4/c1-4-6-8-10-12-14-16-18-20-22-24-26-30-37-48(54)61-43-45(65-49(55)38-31-27-25-23-21-19-17-15-13-11-9-7-5-2)44-64-67(58,59)63-42-40-51-47(53)36-34-35-46(52)50-39-32-28-29-33-41-62-66(56,57)60-3;1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23(25)24-21-18-15-16-19-22-29-30(26,27)28-2;1-11-13(9,10)12-7-5-3-2-4-6-8;;;/h45H,4-44H2,1-3H3,(H,50,52)(H,51,53)(H,56,57)(H,58,59);3-22H2,1-2H3,(H,24,25)(H,26,27);2-8H2,1H3,(H,9,10);3*1H4.

What are the key properties of 6-aminohexyl methyl hydrogen phosphate;6-(hexadecanoylamino)hexyl methyl hydrogen phosphate;[2-hexadecanoyloxy-3-[hydroxy-[2-[[5-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-5-oxopentanoyl]amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate;methane?

6-aminohexyl methyl hydrogen phosphate;6-(hexadecanoylamino)hexyl methyl hydrogen phosphate;[2-hexadecanoyloxy-3-[hydroxy-[2-[[5-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-5-oxopentanoyl]amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate;methane has a molecular weight of 1708.19 g/mol, XLogP of 22.35, 82 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-aminohexyl methyl hydrogen phosphate;6-(hexadecanoylamino)hexyl methyl hydrogen phosphate;[2-hexadecanoyloxy-3-[hydroxy-[2-[[5-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-5-oxopentanoyl]amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate;methane is sourced from PubChem (CID 160871759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).