N-Acetyl-6-Chloro-9-(2,3,5-Tri-O-Acetylpentofuranosyl)-9H-Purin-2-Amine
[CAS# 137896-02-7]

Identification

• Name: N-Acetyl-6-Chloro-9-(2,3,5-Tri-O-Acetylpentofuranosyl)-9H-Purin-2-Amine
• Synonyms: 2-ACETAMIDO-6-CHLORO-9-(2',3',5'-TRI-O-ACETYL-Î’-D-RIBOFURANOSYL)PURINE; NSC94009
• Molecular Formula: C₁₈H₂₀ClN₅O₈
• Molecular Weight: 469.83
• CAS Registry Number: 137896-02-7
• SMILES: O=C(Nc3nc1c(ncn1C2OC(C(OC(=O)C)C2OC(=O)C)COC(=O)C)c(Cl)n3)C
• InChI: 1S/C18H20ClN5O8/c1-7(25)21-18-22-15(19)12-16(23-18)24(6-20-12)17-14(31-10(4)28)13(30-9(3)27)11(32-17)5-29-8(2)26/h6,11,13-14,17H,5H2,1-4H3,(H,21,22,23,25)
• InChIKey: OVXYEIBYTBNNFE-UHFFFAOYSA-N

Properties

• Density: 1.636g/cm³ (Cal.)
• Refractive index: 1.667 (Cal.)