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EH9

Summary
Name:(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol
Synonyms:Erythro-9-[3-(2-hydroxynonyl)] adenine
EHNA
Formula:C14 H23 N5 O
Formal charge:0
Formula weight:277.365 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol
OpenEye OEToolkits1.5.0(2S,3R)-3-(6-aminopurin-9-yl)nonan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n1c(c2ncn(c2nc1)C(CCCCCC)C(O)C)N
SMILES_CANONICALCACTVS3.341CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
SMILESCACTVS3.341CCCCCC[CH]([CH](C)O)n1cnc2c(N)ncnc12
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCC[C@H]([C@H](C)O)n1cnc2c1ncnc2N
SMILESOpenEye OEToolkits1.5.0CCCCCCC(C(C)O)n1cnc2c1ncnc2N
InChIInChI1.03InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
InChIKeyInChI1.03IOSAAWHGJUZBOG-WDEREUQCSA-N

221051

PDB entries from 2024-06-12

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