2-[6-(6-aminohexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[12-[3-[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate

C125H214N10O51 — CID 158870190

About 2-[6-(6-aminohexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[12-[3-[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate

2-[6-(6-aminohexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[12-[3-[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate (PubChem CID 158870190) has the molecular formula C125H214N10O51 and a molecular weight of 2673.11 g/mol. Its IUPAC name is 2-[6-(6-aminohexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[12-[3-[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: 2-[6-(6-aminohexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[12-[3-[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate
• PubChem CID: 158870190
• Molecular Formula: C125H214N10O51
• Molecular Weight: 2673.11 g/mol
• Exact Mass: 2671.45
• IUPAC Name: 2-[6-(6-aminohexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[12-[3-[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate
• SMILES: CC(C)(COCCC(=O)NCCCCCCCC(=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.NCCCCCCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.O=C(CCCCCCCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCOCCCOCCC(=O)NCCCCCCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C55H92N4O20.C52H87N5O20.C18H35NO11/c1-55(2,43-76-31-23-47(62)56-27-11-7-3-5-9-15-45(60)17-13-29-70-35-39-74-41-37-72-33-25-53(68)78-58-49(64)19-20-50(58)65)44-77-32-24-48(63)57-28-12-8-4-6-10-16-46(61)18-14-30-71-36-40-75-42-38-73-34-26-54(69)79-59-51(66)21-22-52(59)67;58-43(13-8-4-1-2-5-9-14-44(59)54-25-33-72-37-41-74-39-35-70-31-22-51(66)76-56-47(62)16-17-48(56)63)20-29-68-27-12-28-69-30-21-46(61)53-24-11-7-3-6-10-15-45(60)55-26-34-73-38-42-75-40-36-71-32-23-52(67)77-57-49(64)18-19-50(57)65;19-5-3-1-2-4-6-27-17-15(26)13(24)16(10(8-21)29-17)30-18-14(25)12(23)11(22)9(7-20)28-18/h3-44H2,1-2H3,(H,56,62)(H,57,63);1-42H2,(H,53,61)(H,54,59)(H,55,60);9-18,20-26H,1-8,19H2
• InChIKey: JBTAGARKAVAVPG-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 803.66 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 52
• Rotatable Bonds: 118
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2673.11
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-aminohexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[12-[3-[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate?

The IUPAC name of 2-[6-(6-aminohexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[12-[3-[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate (CID 158870190) is 2-[6-(6-aminohexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[12-[3-[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate.

What is the SMILES notation for 2-[6-(6-aminohexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[12-[3-[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate?

The canonical SMILES for 2-[6-(6-aminohexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[12-[3-[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate is CC(C)(COCCC(=O)NCCCCCCCC(=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.NCCCCCCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.O=C(CCCCCCCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCOCCCOCCC(=O)NCCCCCCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of 2-[6-(6-aminohexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[12-[3-[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate?

The InChIKey is JBTAGARKAVAVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H92N4O20.C52H87N5O20.C18H35NO11/c1-55(2,43-76-31-23-47(62)56-27-11-7-3-5-9-15-45(60)17-13-29-70-35-39-74-41-37-72-33-25-53(68)78-58-49(64)19-20-50(58)65)44-77-32-24-48(63)57-28-12-8-4-6-10-16-46(61)18-14-30-71-36-40-75-42-38-73-34-26-54(69)79-59-51(66)21-22-52(59)67;58-43(13-8-4-1-2-5-9-14-44(59)54-25-33-72-37-41-74-39-35-70-31-22-51(66)76-56-47(62)16-17-48(56)63)20-29-68-27-12-28-69-30-21-46(61)53-24-11-7-3-6-10-15-45(60)55-26-34-73-38-42-75-40-36-71-32-23-52(67)77-57-49(64)18-19-50(57)65;19-5-3-1-2-4-6-27-17-15(26)13(24)16(10(8-21)29-17)30-18-14(25)12(23)11(22)9(7-20)28-18/h3-44H2,1-2H3,(H,56,62)(H,57,63);1-42H2,(H,53,61)(H,54,59)(H,55,60);9-18,20-26H,1-8,19H2.

What are the key properties of 2-[6-(6-aminohexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[12-[3-[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate?

2-[6-(6-aminohexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[12-[3-[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate has a molecular weight of 2673.11 g/mol, XLogP of 3.34, 118 rotatable bonds, 13 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(6-aminohexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[[12-[3-[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]propoxy]-10-oxododecanoyl]amino]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 158870190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).