Chemical Component Summary

Name5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine
Identifiers[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[2-(2-chloranylethanoylamino)ethylsulfamoylmethyl]phosphinic acid
FormulaC15 H23 Cl N7 O10 P S
Molecular Weight559.876
TypeNON-POLYMER
Isomeric SMILESc1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CS(=O)(=O)NCCNC(=O)CCl)O)O)O)NC(=NC2=O)N
InChIInChI=1S/C15H23ClN7O10PS/c16-3-8(24)18-1-2-20-35(30,31)6-34(28,29)32-4-7-10(25)11(26)14(33-7)23-5-19-9-12(23)21-15(17)22-13(9)27/h5,7,10-11,14,20,25-26H,1-4,6H2,(H,18,24)(H,28,29)(H3,17,21,22,27)/t7-,10-,11-,14-/m1/s1
InChIKeyAYYURYDKBCGXDD-FRJWGUMJSA-N

Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count4
Bond Count60
Aromatic Bond Count5

Related Resource References

Resource NameReference
PubChem 137316471, 134156761
ChEMBL CHEMBL3982443