6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane;methane

C74H147N6O28P — CID 159878429

About 6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane;methane

6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane;methane (PubChem CID 159878429) has the molecular formula C74H147N6O28P and a molecular weight of 1599.98 g/mol. Its IUPAC name is 6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane;methane.

Molecular Properties

• Compound Name: 6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane;methane
• PubChem CID: 159878429
• Molecular Formula: C74H147N6O28P
• Molecular Weight: 1599.98 g/mol
• Exact Mass: 1599.00
• IUPAC Name: 6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane;methane
• SMILES: C.CC.COCCCCCCNC(=O)CCCC(=O)NC(COCCC(=O)NCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)(COCCC(=O)NCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)COCCC(=O)NCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C.COP(=O)(O)OCCCCCCN
• InChI: InChI=1S/C64H119N5O24.C7H18NO4P.C2H6.CH4/c1-44-55(78)58(81)47(38-70)91-61(44)88-32-18-10-6-14-28-66-51(74)24-35-85-41-64(69-54(77)23-21-22-50(73)65-27-13-5-9-17-31-84-4,42-86-36-25-52(75)67-29-15-7-11-19-33-89-62-45(2)56(79)59(82)48(39-71)92-62)43-87-37-26-53(76)68-30-16-8-12-20-34-90-63-46(3)57(80)60(83)49(40-72)93-63;1-11-13(9,10)12-7-5-3-2-4-6-8;1-2;/h44-49,55-63,70-72,78-83H,5-43H2,1-4H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,77);2-8H2,1H3,(H,9,10);1-2H3;1H4/t44?,45?,46?,47?,48?,49?,55-,56-,57-,58+,59+,60+,61-,62-,63-,64?;;;/m1.../s1
• InChIKey: NTFFRLVHQQGYQL-QWNCTUIBSA-N
• XLogP: 2.79
• TPSA: 501.65 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 28
• Rotatable Bonds: 62
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1599.98
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	28

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;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane;methane?

The IUPAC name of 6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane;methane (CID 159878429) is 6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane;methane.

What is the SMILES notation for 6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane;methane?

The canonical SMILES for 6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane;methane is C.CC.COCCCCCCNC(=O)CCCC(=O)NC(COCCC(=O)NCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)(COCCC(=O)NCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)COCCC(=O)NCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C.COP(=O)(O)OCCCCCCN.

What is the InChIKey of 6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane;methane?

The InChIKey is NTFFRLVHQQGYQL-QWNCTUIBSA-N. The full InChI is InChI=1S/C64H119N5O24.C7H18NO4P.C2H6.CH4/c1-44-55(78)58(81)47(38-70)91-61(44)88-32-18-10-6-14-28-66-51(74)24-35-85-41-64(69-54(77)23-21-22-50(73)65-27-13-5-9-17-31-84-4,42-86-36-25-52(75)67-29-15-7-11-19-33-89-62-45(2)56(79)59(82)48(39-71)92-62)43-87-37-26-53(76)68-30-16-8-12-20-34-90-63-46(3)57(80)60(83)49(40-72)93-63;1-11-13(9,10)12-7-5-3-2-4-6-8;1-2;/h44-49,55-63,70-72,78-83H,5-43H2,1-4H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,77);2-8H2,1H3,(H,9,10);1-2H3;1H4/t44?,45?,46?,47?,48?,49?,55-,56-,57-,58+,59+,60+,61-,62-,63-,64?;;;/m1.../s1.

What are the key properties of 6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane;methane?

6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane;methane has a molecular weight of 1599.98 g/mol, XLogP of 2.79, 62 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane;methane is sourced from PubChem (CID 159878429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).