N-[9-(5-O-Phosphonopentofuranosyl)-9H-Purin-6-Yl]Aspartic Acid - Sodium (1:1)
[CAS# 102129-67-9]

Identification

• Name: N-[9-(5-O-Phosphonopentofuranosyl)-9H-Purin-6-Yl]Aspartic Acid - Sodium (1:1)
• Synonyms: Adenylosuccinic acid sodium salt
• Molecular Formula: C₁₄H₁₈N₅NaO₁₁P
• Molecular Weight: 486.28
• CAS Registry Number: 102129-67-9
• SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)NC(CC(=O)O)C(=O)O.[NaH]
• InChI: 1S/C14H18N5O11P.Na.H/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28;;/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)
• InChIKey: MJVOJTRCUXGCLY-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)