3-[3-[1-(2,3-dihydroxypropoxy)-3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-[2-[2-[3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]ethoxymethoxy]ethoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]propane-1,2-diol

C47H96O32 — CID 122548024

About 3-[3-[1-(2,3-dihydroxypropoxy)-3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-[2-[2-[3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]ethoxymethoxy]ethoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]propane-1,2-diol

3-[3-[1-(2,3-dihydroxypropoxy)-3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-[2-[2-[3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]ethoxymethoxy]ethoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]propane-1,2-diol (PubChem CID 122548024) has the molecular formula C47H96O32 and a molecular weight of 1173.25 g/mol. Its IUPAC name is 3-[3-[1-(2,3-dihydroxypropoxy)-3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-[2-[2-[3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]ethoxymethoxy]ethoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]propane-1,2-diol.

Molecular Properties

• Compound Name: 3-[3-[1-(2,3-dihydroxypropoxy)-3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-[2-[2-[3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]ethoxymethoxy]ethoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]propane-1,2-diol
• PubChem CID: 122548024
• Molecular Formula: C47H96O32
• Molecular Weight: 1173.25 g/mol
• Exact Mass: 1172.59
• IUPAC Name: 3-[3-[1-(2,3-dihydroxypropoxy)-3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-[2-[2-[3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]ethoxymethoxy]ethoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]propane-1,2-diol
• SMILES: OCC(O)COCC(O)COC(COCC(O)CO)COCC(COCCOCOCCOCC(COCC(CO)OCC(CO)OCC(O)CO)OCC(O)COCC(CO)OCC(O)CO)OCC(CO)OCC(O)CO
• InChI: InChI=1S/C47H96O32/c48-5-34(57)14-68-16-39(62)21-77-47(27-69-15-35(58)6-49)30-72-29-46(79-32-44(13-56)75-20-38(61)9-52)26-65-2-4-67-33-66-3-1-64-25-45(76-22-40(63)17-70-23-41(10-53)73-18-36(59)7-50)28-71-24-42(11-54)78-31-43(12-55)74-19-37(60)8-51/h34-63H,1-33H2
• InChIKey: IQBPKELYUWYOSC-UHFFFAOYSA-N
• XLogP: -9.75
• TPSA: 471.36 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 32
• Rotatable Bonds: 62
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1173.25
LogP ≤ 5	-9.75
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	32

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-[3-[1-(2,3-dihydroxypropoxy)-3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-[2-[2-[3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]ethoxymethoxy]ethoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]propane-1,2-diol?

The IUPAC name of 3-[3-[1-(2,3-dihydroxypropoxy)-3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-[2-[2-[3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]ethoxymethoxy]ethoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]propane-1,2-diol (CID 122548024) is 3-[3-[1-(2,3-dihydroxypropoxy)-3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-[2-[2-[3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]ethoxymethoxy]ethoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]propane-1,2-diol.

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

The canonical SMILES for 3-[3-[1-(2,3-dihydroxypropoxy)-3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-[2-[2-[3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]ethoxymethoxy]ethoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]propane-1,2-diol is OCC(O)COCC(O)COC(COCC(O)CO)COCC(COCCOCOCCOCC(COCC(CO)OCC(CO)OCC(O)CO)OCC(O)COCC(CO)OCC(O)CO)OCC(CO)OCC(O)CO.

What is the InChIKey of 3-[3-[1-(2,3-dihydroxypropoxy)-3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-[2-[2-[3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]ethoxymethoxy]ethoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]propane-1,2-diol?

The InChIKey is IQBPKELYUWYOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H96O32/c48-5-34(57)14-68-16-39(62)21-77-47(27-69-15-35(58)6-49)30-72-29-46(79-32-44(13-56)75-20-38(61)9-52)26-65-2-4-67-33-66-3-1-64-25-45(76-22-40(63)17-70-23-41(10-53)73-18-36(59)7-50)28-71-24-42(11-54)78-31-43(12-55)74-19-37(60)8-51/h34-63H,1-33H2.

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

3-[3-[1-(2,3-dihydroxypropoxy)-3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-[2-[2-[3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]ethoxymethoxy]ethoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]propane-1,2-diol has a molecular weight of 1173.25 g/mol, XLogP of -9.75, 62 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[1-(2,3-dihydroxypropoxy)-3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-[2-[2-[3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]ethoxymethoxy]ethoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]propane-1,2-diol is sourced from PubChem (CID 122548024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).