(4S)-4-[[(3R)-3-Hydroxytetradecanoyl]Amino]-5-[(3R)-3-Tetradecanoyloxytetradecanoyl]Oxypentanoic Acid
[CAS# 147376-46-3]

Identification

• Name: (4S)-4-[[(3R)-3-Hydroxytetradecanoyl]Amino]-5-[(3R)-3-Tetradecanoyloxytetradecanoyl]Oxypentanoic Acid
• Synonyms: (4S)-4-[[(3R)-3-Hydroxytetradecanoyl]Amino]-5-[(3R)-3-Tetradecanoyloxytetradecanoyl]Oxy-Pentanoic Acid; (4S)-4-[[(3R)-3-Hydroxy-1-Oxotetradecyl]Amino]-5-[(3R)-1-Oxo-3-(1-Oxotetradecoxy)Tetradecoxy]Pentanoic Acid; (4S)-4-[[(3R)-3-Hydroxytetradecanoyl]Amino]-5-[(3R)-3-Tetradecanoyloxytetradecanoyl]Oxy-Valeric Acid
• Molecular Formula: C₄₇H₈₉NO₈
• Molecular Weight: 796.22
• CAS Registry Number: 147376-46-3
• SMILES: [C@@H](NC(=O)C[C@H](O)CCCCCCCCCCC)(COC(=O)C[C@H](OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCC)CCC(=O)O
• InChI: 1S/C47H89NO8/c1-4-7-10-13-16-19-20-23-26-29-32-35-46(53)56-43(34-31-28-25-22-18-15-12-9-6-3)39-47(54)55-40-41(36-37-45(51)52)48-44(50)38-42(49)33-30-27-24-21-17-14-11-8-5-2/h41-43,49H,4-40H2,1-3H3,(H,48,50)(H,51,52)/t41-,42+,43+/m0/s1
• InChIKey: NWPJVHAXBZZYPG-VDXPIPGDSA-N

Properties

• Density: 0.982g/cm³ (Cal.)
• Boiling point: 833.413°C at 760 mmHg (Cal.)
• Flash point: 457.832°C (Cal.)