Adenylosuccinic Acid
[CAS# 19046-78-7]

Identification

• Name: Adenylosuccinic Acid
• Synonyms: 2-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Butanedioic Acid; 2-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)-2-Tetrahydrofuranyl]-6-Purinyl]Amino]Butanedioic Acid; 2-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Succinic Acid
• Molecular Formula: C₁₄H₁₈N₅O₁₁P
• Molecular Weight: 463.30
• CAS Registry Number: 19046-78-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](=O)(O)O)[N]2C3=C(N=C2)C(=NC=N3)NC(C(=O)O)CC(=O)O
• InChI: 1S/C14H18N5O11P/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)/t5?,6-,9-,10-,13-/m1/s1
• InChIKey: OFBHPPMPBOJXRT-DPXQIYNJSA-N

Properties

• Density: 2.198g/cm³ (Cal.)
• Boiling point: 921.858°C at 760 mmHg (Cal.)
• Flash point: 511.321°C (Cal.)