坎格瑞洛中间体3
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
N-[2-(Methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine 5'-(dihydrogen phosphate), Adenosine, N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-, 5'-(dihydrogen phosphate)
CAS号: 847460-53-1
IUPAC名称: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
分子式: C16H23F3N5O7PS2
分子量: 549.482
InChI: InChI=1S/C16H23F3N5O7PS2/c1-33-5-3-20-12-9-13(23-15(22-12)34-4-2-16(17,18)19)24(7-21-9)14-11(26)10(25)8(31-14)6-30-32(27,28)29/h7-8,10-11,14,25-26H,2-6H2,1H3,(H,20,22,23)(H2,27,28,29)/t8-,10-,11-,14-/m1/s1
InChIKey: KVLRBRZHCOVMNX-IDTAVKCVSA-N
SMILES: -
EINECS: CSCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
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