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88Q

Summary
Name:1,5:6,10-dianhydro-3,4,7,8-tetradeoxy-2,9-bis-C-(hydroxymethyl)-L-manno-decitol
Formula:C12 H22 O6
Formal charge:0
Formula weight:262.299 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S,2'S,5S,5'S)-5,5'-bis(hydroxymethyl)octahydro-2H,2'H-2,2'-bipyran-5,5'-diol
OpenEye OEToolkits1.9.2(3S,6S)-3-(hydroxymethyl)-6-[(2S,5S)-5-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]oxan-3-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OCC1(O)CCC(OC1)C2OCC(O)(CO)CC2
InChIInChI1.03InChI=1S/C12H22O6/c13-5-11(15)3-1-9(17-7-11)10-2-4-12(16,6-14)8-18-10/h9-10,13-16H,1-8H2/t9-,10-,11-,12-/m0/s1
InChIKeyInChI1.03FJMBBGDZFKPKCM-BJDJZHNGSA-N
SMILES_CANONICALCACTVS3.385OC[C@@]1(O)CC[C@H](OC1)[C@@H]2CC[C@](O)(CO)CO2
SMILESCACTVS3.385OC[C]1(O)CC[CH](OC1)[CH]2CC[C](O)(CO)CO2
SMILES_CANONICALOpenEye OEToolkits1.9.2C1C[C@@](CO[C@@H]1[C@@H]2CC[C@@](CO2)(CO)O)(CO)O
SMILESOpenEye OEToolkits1.9.2C1CC(COC1C2CCC(CO2)(CO)O)(CO)O

222415

건을2024-07-10부터공개중

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