(2S)-2-[[9-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Purin-6-Yl]Amino]Butanedioic Acid
[CAS# 4542-23-8]

Identification

• Name: (2S)-2-[[9-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Purin-6-Yl]Amino]Butanedioic Acid
• Synonyms: (2S)-2-[[9-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Butanedioic Acid; (2S)-2-[[9-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-6-Purinyl]Amino]Butanedioic Acid; (2S)-2-[[9-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Succinic Acid
• Molecular Formula: C₁₄H₁₇N₅O₈
• Molecular Weight: 383.32
• CAS Registry Number: 4542-23-8
• SMILES: [C@@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]2C3=C(N=C2)C(=NC=N3)N[C@H](C(=O)O)CC(=O)O
• InChI: 1S/C14H17N5O8/c20-2-6-9(23)10(24)13(27-6)19-4-17-8-11(15-3-16-12(8)19)18-5(14(25)26)1-7(21)22/h3-6,9-10,13,20,23-24H,1-2H2,(H,21,22)(H,25,26)(H,15,16,18)/t5-,6+,9+,10+,13-/m0/s1
• InChIKey: VKGZCEJTCKHMRL-MDBUBQOGSA-N

Properties

• Density: 2.023g/cm³ (Cal.)
• Boiling point: 816.449°C at 760 mmHg (Cal.)
• Flash point: 447.572°C (Cal.)