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SK3

Summary
Name:(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-1,2,3,4-TETROL
Formula:C12 H17 N O4
Formal charge:0
Formula weight:239.268 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1R,2R,3S,4S,5r)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol
OpenEye OEToolkits1.5.0(1S,2S,3R,4R)-5-(phenylmethylamino)cyclopentane-1,2,3,4-tetrol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC2C(NCc1ccccc1)C(O)C(O)C2O
SMILES_CANONICALCACTVS3.341O[C@H]1[C@@H](O)[C@@H](O)[C@@H](NCc2ccccc2)[C@H]1O
SMILESCACTVS3.341O[CH]1[CH](O)[CH](O)[CH](NCc2ccccc2)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CNC2[C@H]([C@H]([C@H]([C@H]2O)O)O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CNC2C(C(C(C2O)O)O)O
InChIInChI1.03InChI=1S/C12H17NO4/c14-9-8(10(15)12(17)11(9)16)13-6-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8-,9+,10-,11+,12-
InChIKeyInChI1.03AQARFUBRAYWQBH-NMZKHRHQSA-N

222415

數據於2024-07-10公開中

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