Acryl-S-Pantetheine-11-Pivalate
[CAS# 119072-36-5]

Identification

• Name: Acryl-S-Pantetheine-11-Pivalate
• Synonyms: 2,2-Dimethylpropanoic Acid [(3R)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-[[3-Oxo-3-[2-(1-Oxoprop-2-Enylthio)Ethylamino]Propyl]Amino]Butyl] Ester; 2,2-Dimethylpropionic Acid [(3R)-4-[[3-[2-(Acryloylthio)Ethylamino]-3-Keto-Propyl]Amino]-3-Hydroxy-4-Keto-2,2-Dimethyl-Butyl] Ester; Acryl-S-Pantetheine-11-Pivalate
• Molecular Formula: C₁₉H₃₂N₂O₆S
• Molecular Weight: 416.53
• CAS Registry Number: 119072-36-5
• SMILES: [C@@H](C(COC(C(C)(C)C)=O)(C)C)(C(NCCC(NCCSC(C=C)=O)=O)=O)O
• InChI: 1S/C19H32N2O6S/c1-7-14(23)28-11-10-20-13(22)8-9-21-16(25)15(24)19(5,6)12-27-17(26)18(2,3)4/h7,15,24H,1,8-12H2,2-6H3,(H,20,22)(H,21,25)/t15-/m0/s1
• InChIKey: VTOUEJHZFCIFDO-HNNXBMFYSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 644.289°C at 760 mmHg (Cal.)
• Flash point: 343.454°C (Cal.)