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S02

Summary
Name:PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2-HYDROXY-ETHOXY)-CYCLOHEXYLIDENE]-ETHYLIDENE}-CYCLOHEXYLOXY) -ETHYL] ESTER
Synonyms:STILBENEDIETHER NUCLEOTIDE LINKER
Formula:C18 H31 O7 P
Formal charge:0
Formula weight:390.408 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-{[(1R,4Z)-4-{(2Z)-2-[(4R)-4-(2-hydroxyethoxy)cyclohexylidene]ethylidene}cyclohexyl]oxy}ethyl dihydrogen phosphate
OpenEye OEToolkits1.5.02-[4-[2-[4-(2-hydroxyethoxy)cyclohexylidene]ethylidene]cyclohexyl]oxyethyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCCOC2CC/C(=C/C=C1\CCC(OCCO)CC1)CC2
SMILES_CANONICALCACTVS3.341OCCO[CH]1CC[C@@](CC1)=[CH][CH]=[C@@]2CC[CH](CC2)OCCO[P](O)(O)=O
SMILESCACTVS3.341OCCO[CH]1CC[C](CC1)=[CH][CH]=[C]2CC[CH](CC2)OCCO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1CC(=CC=C2CCC(CC2)OCCOP(=O)(O)O)CCC1OCCO
SMILESOpenEye OEToolkits1.5.0C1CC(=CC=C2CCC(CC2)OCCOP(=O)(O)O)CCC1OCCO
InChIInChI1.03InChI=1S/C18H31O7P/c19-11-12-23-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)24-13-14-25-26(20,21)22/h1-2,17-19H,3-14H2,(H2,20,21,22)/b15-1-,16-2-/t17-,18-/m1/s1
InChIKeyInChI1.03OZTBGMTXOWWCDF-SEQCRYNPSA-N

224931

PDB entries from 2024-09-11

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