3-Hydroxybutyrylpantetheine
[CAS# 120497-19-0]

Identification

• Name: 3-Hydroxybutyrylpantetheine
• Synonyms: S-[2-[3-[[(2R)-2,4-Dihydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] (3S)-3-Hydroxybutanethioate; (3S)-3-Hydroxybutanethioic Acid S-[2-[[3-[[(2R)-2,4-Dihydroxy-3,3-Dimethyl-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]Ethyl] Ester; (3S)-3-Hydroxybutanethioic Acid S-[2-[3-[[(2R)-2,4-Dihydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] Ester
• Molecular Formula: C₁₅H₂₈N₂O₆S
• Molecular Weight: 364.46
• CAS Registry Number: 120497-19-0
• SMILES: [C@@H](CC(SCCNC(CCNC([C@@H](C(CO)(C)C)O)=O)=O)=O)(C)O
• InChI: 1S/C15H28N2O6S/c1-10(19)8-12(21)24-7-6-16-11(20)4-5-17-14(23)13(22)15(2,3)9-18/h10,13,18-19,22H,4-9H2,1-3H3,(H,16,20)(H,17,23)/t10-,13-/m0/s1
• InChIKey: NWWCNMDNUHGBRK-GWCFXTLKSA-N

Properties

• Density: 1.246g/cm³ (Cal.)
• Boiling point: 709.212°C at 760 mmHg (Cal.)
• Flash point: 382.718°C (Cal.)