[(2R,3S,4R,5R)-5-[6-Amino-2-(3-Bromopropa-1,2-Dienylsulfanyl)Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methyl Dihydrogen Phosphate
[CAS# 124379-89-1]

Identification

• Name: [(2R,3S,4R,5R)-5-[6-Amino-2-(3-Bromopropa-1,2-Dienylsulfanyl)Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methyl Dihydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-[6-Amino-2-(3-Bromopropa-1,2-Dienylsulfanyl)Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-[6-Amino-2-(3-Bromopropa-1,2-Dienylthio)-9-Purinyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-[6-Amino-2-(3-Bromopropa-1,2-Dienylthio)Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₃H₁₅BrN₅O₇PS
• Molecular Weight: 496.23
• CAS Registry Number: 124379-89-1
• SMILES: [C@@H]1(CO[P](=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](O1)[N]2C=NC3=C2N=C(N=C3N)S[CH]=[C]=[CH]Br
• InChI: 1S/C13H15BrN5O7PS/c14-2-1-3-28-13-17-10(15)7-11(18-13)19(5-16-7)12-9(21)8(20)6(26-12)4-25-27(22,23)24/h2-3,5-6,8-9,12,20-21H,4H2,(H2,15,17,18)(H2,22,23,24)/t1?,6-,8-,9-,12-/m1/s1
• InChIKey: WOGBXAXUYLADCT-YEAGJPMLSA-N

Properties

• Density: 2.207g/cm³ (Cal.)
• Boiling point: 912.426°C at 760 mmHg (Cal.)
• Flash point: 505.617°C (Cal.)