52049-48-6
2-METHYLTHIO-6-((Z)-4-HYDROXY-3-METHYLBUT-2-ENYLAMINO)-9-BETA-D-RIBOFURANOSYLPURINE
Name
2-METHYLTHIO-6-((Z)-4-HYDROXY-3-METHYLBUT-2-ENYLAMINO)-9-BETA-D-RIBOFURANOSYLPURINE
Formula
C16 H23 N5 O5 S
MolWeight
397.454
1Identification
【Name】
2-METHYLTHIO-6-((Z)-4-HYDROXY-3-METHYLBUT-2-ENYLAMINO)-9-BETA-D-RIBOFURANOSYLPURINE
【CAS】
【MDL】
MFCD18781894
【English Synonyms】
【Formula】
C16 H23 N5 O5 S
【MolWeight】
397.454
【Inchi】
InChI=1S/C16H23N5O5S/c1-8(5-22)3-4-17-13-10-14(20-16(19-13)27-2)21(7-18-10)15-12(25)11(24)9(6-23)26-15/h3,7,9,11-12,15,22-25H,4-6H2,1-2H3,(H,17,19,20)/b8-3-/t9-,11-,12-,15-/m1/s1
【InChIKey】
InChIKey=QEWSGVMSLPHELX-RFLXNSOUSA-N
【SMILES】
C/C(=C/CNc1c2c(nc(n1)SC)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)/CO
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:10
XLogP3:0.0
Bulk/Fine:F