8-(Chloroacetylaminoethylthio)Cyclic Amp
[CAS# 65259-76-9]

Identification

• Name: 8-(Chloroacetylaminoethylthio)Cyclic Amp
• Synonyms: [(2R,3S,4R,5R)-5-[6-Amino-8-[(E)-2-[(2-Chloroacetyl)Amino]Vinyl]Sulfanyl-Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-[6-Amino-8-[[(E)-2-[(2-Chloro-1-Oxoethyl)Amino]Vinyl]Thio]-9-Purinyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-[6-Amino-8-[[(E)-2-[(2-Chloroacetyl)Amino]Vinyl]Thio]Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₄H₁₈ClN₆O₈PS
• Molecular Weight: 496.82
• CAS Registry Number: 65259-76-9
• SMILES: [C@@H]1(CO[P](O)(O)=O)[C@@H](O)[C@@H](O)[C@@H](O1)[N]2C(=NC3=C2N=CN=C3N)S\C=C\NC(=O)CCl
• InChI: 1S/C14H18ClN6O8PS/c15-3-7(22)17-1-2-31-14-20-8-11(16)18-5-19-12(8)21(14)13-10(24)9(23)6(29-13)4-28-30(25,26)27/h1-2,5-6,9-10,13,23-24H,3-4H2,(H,17,22)(H2,16,18,19)(H2,25,26,27)/b2-1+/t6-,9-,10-,13-/m1/s1
• InChIKey: SJCJHWOCFCZYSR-QPFBEWOZSA-N

Properties

• Density: 2.074g/cm³ (Cal.)