3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol

C78H162O50 — CID 159080569

About 3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol

3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol (PubChem CID 159080569) has the molecular formula C78H162O50 and a molecular weight of 1900.10 g/mol. Its IUPAC name is 3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol.

Molecular Properties

• Compound Name: 3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol
• PubChem CID: 159080569
• Molecular Formula: C78H162O50
• Molecular Weight: 1900.10 g/mol
• Exact Mass: 1899.01
• IUPAC Name: 3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol
• SMILES: CC(COC(COC(COCC(O)CO)COCC(O)CO)COC(COCC(O)CO)COCC(O)CO)COC(COC(COCC(O)CO)COCC(O)CO)COC(COCC(O)CO)COCC(O)CO.CC(COC(COCC(O)CO)COCC(O)CO)COC(COCC(O)CO)COCC(O)CO.CC(COCC(O)CO)COCC(O)CO
• InChI: InChI=1S/C46H94O30.C22H46O14.C10H22O6/c1-32(10-71-45(28-73-41(20-63-12-33(55)2-47)21-64-13-34(56)3-48)29-74-42(22-65-14-35(57)4-49)23-66-15-36(58)5-50)11-72-46(30-75-43(24-67-16-37(59)6-51)25-68-17-38(60)7-52)31-76-44(26-69-18-39(61)8-53)27-70-19-40(62)9-54;1-16(6-35-21(12-31-8-17(27)2-23)13-32-9-18(28)3-24)7-36-22(14-33-10-19(29)4-25)15-34-11-20(30)5-26;1-8(4-15-6-9(13)2-11)5-16-7-10(14)3-12/h32-62H,2-31H2,1H3;16-30H,2-15H2,1H3;8-14H,2-7H2,1H3
• InChIKey: KAULRSSORMMAAZ-UHFFFAOYSA-N
• XLogP: -14.87
• TPSA: 769.50 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 50
• Rotatable Bonds: 94
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1900.10
LogP ≤ 5	-14.87
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol?

The IUPAC name of 3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol (CID 159080569) is 3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol.

What is the SMILES notation for 3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol?

The canonical SMILES for 3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol is CC(COC(COC(COCC(O)CO)COCC(O)CO)COC(COCC(O)CO)COCC(O)CO)COC(COC(COCC(O)CO)COCC(O)CO)COC(COCC(O)CO)COCC(O)CO.CC(COC(COCC(O)CO)COCC(O)CO)COC(COCC(O)CO)COCC(O)CO.CC(COCC(O)CO)COCC(O)CO.

What is the InChIKey of 3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol?

The InChIKey is KAULRSSORMMAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H94O30.C22H46O14.C10H22O6/c1-32(10-71-45(28-73-41(20-63-12-33(55)2-47)21-64-13-34(56)3-48)29-74-42(22-65-14-35(57)4-49)23-66-15-36(58)5-50)11-72-46(30-75-43(24-67-16-37(59)6-51)25-68-17-38(60)7-52)31-76-44(26-69-18-39(61)8-53)27-70-19-40(62)9-54;1-16(6-35-21(12-31-8-17(27)2-23)13-32-9-18(28)3-24)7-36-22(14-33-10-19(29)4-25)15-34-11-20(30)5-26;1-8(4-15-6-9(13)2-11)5-16-7-10(14)3-12/h32-62H,2-31H2,1H3;16-30H,2-15H2,1H3;8-14H,2-7H2,1H3.

What are the key properties of 3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol?

3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol has a molecular weight of 1900.10 g/mol, XLogP of -14.87, 94 rotatable bonds, 28 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol is sourced from PubChem (CID 159080569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).