D-Pantetheine 4'-phosphate
[CAS# 2226-71-3]

Identification

• Name: D-Pantetheine 4'-phosphate
• Synonyms: [3-Hydroxy-4-[[3-(2-Mercaptoethylamino)-3-Oxopropyl]Amino]-2,2-Dimethyl-4-Oxobutyl] Dihydrogen Phosphate; [3-Hydroxy-4-Keto-4-[[3-Keto-3-(2-Mercaptoethylamino)Propyl]Amino]-2,2-Dimethyl-Butyl] Dihydrogen Phosphate; Chebi:16858
• Molecular Formula: C₁₁H₂₃N₂O₇PS
• Molecular Weight: 358.35
• CAS Registry Number: 2226-71-3
• SMILES: C(C(C)(C)C(C(NCCC(NCCS)=O)=O)O)O[P](O)(O)=O
• InChI: 1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)
• InChIKey: JDMUPRLRUUMCTL-UHFFFAOYSA-N

Properties

• Density: 1.381g/cm³ (Cal.)

References

• (1): Kopp Florian. Macrocyclization strategies in polyketide and nonribosomal peptide biosynthesis, Natural Product Reports, 2007