6-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-1-[(Z)-Prop-1-Enyl]Purin-2-One
[CAS# 140156-26-9]

Identification

• Name: 6-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-1-[(Z)-Prop-1-Enyl]Purin-2-One
• Synonyms: 6-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-1-[(Z)-Prop-1-Enyl]Purin-2-One; 6-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-1-[(Z)-Prop-1-Enyl]-2-Purinone; 6-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-1-[(Z)-Prop-1-Enyl]Purin-2-One
• Molecular Formula: C₁₃H₁₇N₅O₅
• Molecular Weight: 323.31
• CAS Registry Number: 140156-26-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)N3C2=NC(=O)N(C(=C2N=C3)N)\C=C/C
• InChI: 1S/C13H17N5O5/c1-2-3-17-10(14)7-11(16-13(17)22)18(5-15-7)12-9(21)8(20)6(4-19)23-12/h2-3,5-6,8-9,12,19-21H,4,14H2,1H3/b3-2-/t6-,8-,9-,12-/m1/s1
• InChIKey: GHRFOPVFWKOWEV-UEMXZQTKSA-N

Properties

• Density: 1.807g/cm³ (Cal.)
• Boiling point: 544.949°C at 760 mmHg (Cal.)
• Flash point: 283.375°C (Cal.)