F3O

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Summary

Name:3'-O-L-phenylalanyladenosine 5'-(dihydrogen phosphate)
Formula:C19 H23 N6 O8 P
Formal charge:0
Molecular weight:494.395 Da
Component type:RNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs12.013'-O-L-phenylalanyladenosine 5'-(dihydrogen phosphate)
OpenEye OEToolkits1.7.6[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl] (2S)-2-azanyl-3-phenyl-propanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(O)C4OC(=O)C(N)Cc3ccccc3
InChIInChI1.03InChI=1S/C19H23N6O8P/c20-11(6-10-4-2-1-3-5-10)19(27)33-15-12(7-31-34(28,29)30)32-18(14(15)26)25-9-24-13-16(21)22-8-23-17(13)25/h1-5,8-9,11-12,14-15,18,26H,6-7,20H2,(H2,21,22,23)(H2,28,29,30)/t11-,12+,14+,15+,18+/m0/s1
InChIKeyInChI1.03DITNEQHUTYSTHA-URQYDQELSA-N
SMILES_CANONICALCACTVS3.385N[C@@H](Cc1ccccc1)C(=O)O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO[P](O)(O)=O)n3cnc4c(N)ncnc34
SMILESCACTVS3.385N[CH](Cc1ccccc1)C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(O)=O)n3cnc4c(N)ncnc34
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)C[C@@H](C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)CC(C(=O)OC2C(OC(C2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N