3-[2-[1-[3-[1-[1-[1-[3-[2-amino-2-[[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-2-(2,3-dihydroxypropoxy)propoxy]ethoxy]ethoxy]propane-1,2-diol

C64H131NO41 — CID 135274761

About 3-[2-[1-[3-[1-[1-[1-[3-[2-amino-2-[[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-2-(2,3-dihydroxypropoxy)propoxy]ethoxy]ethoxy]propane-1,2-diol

3-[2-[1-[3-[1-[1-[1-[3-[2-amino-2-[[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-2-(2,3-dihydroxypropoxy)propoxy]ethoxy]ethoxy]propane-1,2-diol (PubChem CID 135274761) has the molecular formula C64H131NO41 and a molecular weight of 1570.72 g/mol. Its IUPAC name is 3-[2-[1-[3-[1-[1-[1-[3-[2-amino-2-[[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-2-(2,3-dihydroxypropoxy)propoxy]ethoxy]ethoxy]propane-1,2-diol.

Molecular Properties

• Compound Name: 3-[2-[1-[3-[1-[1-[1-[3-[2-amino-2-[[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-2-(2,3-dihydroxypropoxy)propoxy]ethoxy]ethoxy]propane-1,2-diol
• PubChem CID: 135274761
• Molecular Formula: C64H131NO41
• Molecular Weight: 1570.72 g/mol
• Exact Mass: 1569.82
• IUPAC Name: 3-[2-[1-[3-[1-[1-[1-[3-[2-amino-2-[[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-2-(2,3-dihydroxypropoxy)propoxy]ethoxy]ethoxy]propane-1,2-diol
• SMILES: CC(OCCOCC(O)CO)OCC(COC(CO)COC(CO)COC(CO)COCC(O)COCC(N)(COCC(CO)OCC(CO)OCC(COC(C)OCCO)OCC(COC(C)OCCOCC(O)CO)OCC(O)CO)COCC(CO)OC(CO)COCC(O)CO)OCC(O)CO
• InChI: InChI=1S/C64H131NO41/c1-45(92-5-4-66)95-38-63(105-41-62(99-28-52(83)14-71)37-97-47(3)94-9-7-86-23-49(80)11-68)40-104-57(18-75)34-101-55(16-73)30-90-43-64(65,44-91-32-60(21-78)106-59(20-77)31-87-24-50(81)12-69)42-89-26-53(84)25-88-29-54(15-72)100-33-56(17-74)102-35-58(19-76)103-39-61(98-27-51(82)13-70)36-96-46(2)93-8-6-85-22-48(79)10-67/h45-63,66-84H,4-44,65H2,1-3H3
• InChIKey: OORJDANTBOXZHK-UHFFFAOYSA-N
• XLogP: -11.16
• TPSA: 613.45 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 42
• Rotatable Bonds: 82
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1570.72
LogP ≤ 5	-11.16
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[3-[1-[1-[1-[3-[2-amino-2-[[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-2-(2,3-dihydroxypropoxy)propoxy]ethoxy]ethoxy]propane-1,2-diol?

The IUPAC name of 3-[2-[1-[3-[1-[1-[1-[3-[2-amino-2-[[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-2-(2,3-dihydroxypropoxy)propoxy]ethoxy]ethoxy]propane-1,2-diol (CID 135274761) is 3-[2-[1-[3-[1-[1-[1-[3-[2-amino-2-[[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-2-(2,3-dihydroxypropoxy)propoxy]ethoxy]ethoxy]propane-1,2-diol.

What is the SMILES notation for 3-[2-[1-[3-[1-[1-[1-[3-[2-amino-2-[[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-2-(2,3-dihydroxypropoxy)propoxy]ethoxy]ethoxy]propane-1,2-diol?

The canonical SMILES for 3-[2-[1-[3-[1-[1-[1-[3-[2-amino-2-[[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-2-(2,3-dihydroxypropoxy)propoxy]ethoxy]ethoxy]propane-1,2-diol is CC(OCCOCC(O)CO)OCC(COC(CO)COC(CO)COC(CO)COCC(O)COCC(N)(COCC(CO)OCC(CO)OCC(COC(C)OCCO)OCC(COC(C)OCCOCC(O)CO)OCC(O)CO)COCC(CO)OC(CO)COCC(O)CO)OCC(O)CO.

What is the InChIKey of 3-[2-[1-[3-[1-[1-[1-[3-[2-amino-2-[[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-2-(2,3-dihydroxypropoxy)propoxy]ethoxy]ethoxy]propane-1,2-diol?

The InChIKey is OORJDANTBOXZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H131NO41/c1-45(92-5-4-66)95-38-63(105-41-62(99-28-52(83)14-71)37-97-47(3)94-9-7-86-23-49(80)11-68)40-104-57(18-75)34-101-55(16-73)30-90-43-64(65,44-91-32-60(21-78)106-59(20-77)31-87-24-50(81)12-69)42-89-26-53(84)25-88-29-54(15-72)100-33-56(17-74)102-35-58(19-76)103-39-61(98-27-51(82)13-70)36-96-46(2)93-8-6-85-22-48(79)10-67/h45-63,66-84H,4-44,65H2,1-3H3.

What are the key properties of 3-[2-[1-[3-[1-[1-[1-[3-[2-amino-2-[[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-2-(2,3-dihydroxypropoxy)propoxy]ethoxy]ethoxy]propane-1,2-diol?

3-[2-[1-[3-[1-[1-[1-[3-[2-amino-2-[[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-2-(2,3-dihydroxypropoxy)propoxy]ethoxy]ethoxy]propane-1,2-diol has a molecular weight of 1570.72 g/mol, XLogP of -11.16, 82 rotatable bonds, 20 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[1-[3-[1-[1-[1-[3-[2-amino-2-[[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-3-hydroxypropan-2-yl]oxy-2-(2,3-dihydroxypropoxy)propoxy]ethoxy]ethoxy]propane-1,2-diol is sourced from PubChem (CID 135274761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).