Catalog Number:
AG00GWOY
Chemical Name:
S-110
CAS Number:
929904-85-8
Molecular Formula:
C18H23N9NaO10P
Molecular Weight:
579.3931
MDL Number:
MFCD28138338
IUPAC Name:
sodium;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] phosphate
InChI:
InChI=1S/C18H24N9O10P.Na/c19-16-22-6-27(18(31)25-16)12-2-8(9(3-28)35-12)37-38(32,33)34-4-10-7(29)1-11(36-10)26-5-21-13-14(26)23-17(20)24-15(13)30;/h5-12,28-29H,1-4H2,(H,32,33)(H2,19,25,31)(H3,20,23,24,30);/q;+1/p-1/t7-,8-,9+,10+,11+,12+;/m0./s1
InChI Key:
XLHBNJPXFOZFNJ-BYKQGDNKSA-M
SMILES:
OC[C@H]1O[C@H](C[C@@H]1OP(=O)(OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1[nH]c(N)nc2=O)[O-])n1cnc(nc1=O)N.[Na+]
UNII:
0RB89YH367
