2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,2,4-triol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol

C34H76O24 — CID 158333074

About 2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,2,4-triol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol

2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,2,4-triol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 158333074) has the molecular formula C34H76O24 and a molecular weight of 868.96 g/mol. Its IUPAC name is 2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,2,4-triol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

• Compound Name: 2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,2,4-triol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
• PubChem CID: 158333074
• Molecular Formula: C34H76O24
• Molecular Weight: 868.96 g/mol
• Exact Mass: 868.47
• IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,2,4-triol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
• SMILES: OCC(CO)(CO)CO.OCC(CO)(CO)COCC(CO)(CO)CO.OCC(CO)(CO)COCC(CO)(CO)COCC(CO)(CO)CO.OCCC(O)CO
• InChI: InChI=1S/C15H32O10.C10H22O7.C5H12O4.C4H10O3/c16-1-13(2-17,3-18)9-24-11-15(7-22,8-23)12-25-10-14(4-19,5-20)6-21;11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16;6-1-5(2-7,3-8)4-9;5-2-1-4(7)3-6/h16-23H,1-12H2;11-16H,1-8H2;6-9H,1-4H2;4-7H,1-3H2
• InChIKey: GQFZJBIGDWMMIM-UHFFFAOYSA-N
• XLogP: -10.49
• TPSA: 452.52 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 24
• Rotatable Bonds: 33
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	868.96
LogP ≤ 5	-10.49
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,2,4-triol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol?

The IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,2,4-triol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol (CID 158333074) is 2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,2,4-triol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol.

What is the SMILES notation for 2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,2,4-triol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol?

The canonical SMILES for 2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,2,4-triol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol is OCC(CO)(CO)CO.OCC(CO)(CO)COCC(CO)(CO)CO.OCC(CO)(CO)COCC(CO)(CO)COCC(CO)(CO)CO.OCCC(O)CO.

What is the InChIKey of 2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,2,4-triol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol?

The InChIKey is GQFZJBIGDWMMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O10.C10H22O7.C5H12O4.C4H10O3/c16-1-13(2-17,3-18)9-24-11-15(7-22,8-23)12-25-10-14(4-19,5-20)6-21;11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16;6-1-5(2-7,3-8)4-9;5-2-1-4(7)3-6/h16-23H,1-12H2;11-16H,1-8H2;6-9H,1-4H2;4-7H,1-3H2.

What are the key properties of 2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,2,4-triol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol?

2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,2,4-triol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 868.96 g/mol, XLogP of -10.49, 33 rotatable bonds, 21 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-bis(hydroxymethyl)propane-1,3-diol;butane-1,2,4-triol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 158333074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).