9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-1-[(Z)-Prop-1-Enyl]-3H-Purine-2,6-Dione
[CAS# 140156-27-0]

Identification

• Name: 9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-1-[(Z)-Prop-1-Enyl]-3H-Purine-2,6-Dione
• Synonyms: 9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-1-[(Z)-Prop-1-Enyl]-3H-Purine-2,6-Dione; 9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-1-[(Z)-Prop-1-Enyl]-3H-Purine-2,6-Dione; 9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-1-[(Z)-Prop-1-Enyl]Xanthine
• Molecular Formula: C₁₃H₁₆N₄O₆
• Molecular Weight: 324.29
• CAS Registry Number: 140156-27-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]2C3=C(N=C2)C(=O)N(C(=O)N3)\C=C/C
• InChI: 1S/C13H16N4O6/c1-2-3-16-11(21)7-10(15-13(16)22)17(5-14-7)12-9(20)8(19)6(4-18)23-12/h2-3,5-6,8-9,12,18-20H,4H2,1H3,(H,15,22)/b3-2-/t6-,8-,9-,12-/m1/s1
• InChIKey: MVCFQPFKXZNLAU-UEMXZQTKSA-N

Properties

• Density: 1.808g/cm³ (Cal.)