Pantenicate
[CAS# 96922-80-4]

Identification

• Name: Pantenicate
• Synonyms: 3-(3-Pyridinemethoxycarbonyl)Propionic Acid Pantethine Tetraester; 5,30-Dioxa-17,18-Dithia-10,14,21,25-Tetraazatetratriacontanedioic Acid, 8,27-Bis(1,4-Dioxo-4-(3-Pyridinylmethoxy)Butoxy)-4,9,13,22,26,31-Hexaoxo-7,7,28,28-Tetramethyl-, Bis(3-Pyridinylmethy
• Molecular Formula: C₆₂H₇₈N₈O₂₀S₂
• Molecular Weight: 1319.46
• CAS Registry Number: 96922-80-4
• SMILES: C4=C(COC(CCC(OC(C(COC(CCC(OCC1=CC=CN=C1)=O)=O)(C)C)C(NCCC(NCCSSCCNC(CCNC(C(C(COC(CCC(OCC2=CN=CC=C2)=O)=O)(C)C)OC(CCC(OCC3=CN=CC=C3)=O)=O)=O)=O)=O)=O)=O)=O)C=NC=C4
• InChI: 1S/C62H78N8O20S2/c1-61(2,41-87-53(77)15-13-49(73)83-37-43-9-5-23-63-33-43)57(89-55(79)19-17-51(75)85-39-45-11-7-25-65-35-45)59(81)69-27-21-47(71)67-29-31-91-92-32-30-68-48(72)22-28-70-60(82)58(90-56(80)20-18-52(76)86-40-46-12-8-26-66-36-46)62(3,4)42-88-54
• InChIKey: PCGCUXHCEFYPOT-UHFFFAOYSA-N

Properties

• Density: 1.296g/cm³ (Cal.)
• Boiling point: 1300.515°C at 760 mmHg (Cal.)
• Flash point: 740.325°C (Cal.)