Dipentaerythritol Hexakis(3-mercaptopropionate)

• Catalog Number: ACM-MO-25359711
• Product Name: Dipentaerythritol Hexakis(3-mercaptopropionate)
• CAS: 25359-71-1
• Category: Heterocyclic Organic Compound
• Synonyms: DiPETMP
• IUPAC Name: [3-(3-sulfanylpropanoyloxy)-2-[[3-(3-sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propoxy]methyl]-2-(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate
• Molecular Weight: 783.02 g/mol
• Molecular Formula: C28H46O13S6
• Canonical SMILES: C(CS)C(=O)OCC(COCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS
• InChI: InChI=1S/C28H46O13S6/c29-21(1-7-42)36-15-27(16-37-22(30)2-8-43,17-38-23(31)3-9-44)13-35-14-28(18-39-24(32)4-10-45,19-40-25(33)5-11-46)20-41-26(34)6-12-47/h42-47H,1-20H2
• InChI Key: YAAUVJUJVBJRSQ-UHFFFAOYSA-N
• Solubility: Soluble in acetone, ethanol.
• Appearance: Colorless to Light Yellow to Light Orange Clear Liquid
• Complexity: 785
• Covalently-Bonded Unit Count: 1
• EC Number: 246-893-2
• Exact Mass: 782.126269g/mol
• Formal Charge: 0
• H-Bond Acceptor: 19
• H-Bond Donor: 6
• Heavy Atom Count: 47
• Monoisotopic Mass: 782.126269g/mol
• Physical State: Liquid
• Refractive Index: 1.53
• Rotatable Bond Count: 34
• SpecificGravity: 1.29
• XLogP3: 1