AC1L59A9
2,2-bis(hydroxymethyl)propane-1,3-diol;decanoic acid;heptanoic acid;octanoic acid;pentanoic acid
Also Known As: EC 275-118-0|Decanoic acid mixed esters with heptanoic acid octanoic acid pentaerythritol and valeric acid|Decanoic acid, mixed esters with heptanoic acid, octanoic acid, pentaerythritol and valeric acid|Pentaerythritol, ester with valeric acid, enanthylic acid, caprylic acid, and capric acid|Pentaerythritol, ester with valeric acid, enanthylic acid, caprylicacid, and capric acid|2,2-bis(hydroxymethyl)propane-1,3-diol; decanoic acid; heptanoic acid; octanoic acid; pentanoic acid
| Molecular Formula | C35H72O12 |
|---|---|
| Molecular Weight | 684.5024 g/mol |
| LogP | 6.8878 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 26 |
| Exact Mass | 684.5024 |
| Monoisotopic Mass | 684.5024 |
| Heavy Atoms | 47 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 71010-76-9 |
|---|---|
| SMILES | CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)CO)O |
| InChIKey | ZIRMEZKEFPNOEV-UHFFFAOYSA-N |
Product Overview
AC1L59A9 (CAS 71010-76-9), with molecular formula C35H72O12 and molecular weight 684.5024 g/mol. IUPAC: 2,2-bis(hydroxymethyl)propane-1,3-diol;decanoic acid;heptanoic acid;octanoic acid;pentanoic acid.