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0WK

Summary
Name:1,5-anhydro-6-O-phosphono-D-glucitol
Formula:C6 H13 O8 P
Formal charge:0
Formula weight:244.136 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,5-anhydro-6-O-phosphono-D-glucitol
OpenEye OEToolkits1.7.6[(2R,3S,4R,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate
PDB-CARE1.0D-1-deoxy-Glcp6PO3

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)OCC1OCC(O)C(O)C1O
InChIInChI1.03InChI=1S/C6H13O8P/c7-3-1-13-4(6(9)5(3)8)2-14-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+,6+/m0/s1
InChIKeyInChI1.03KAJAXXUCVJFKFM-SLPGGIOYSA-N
SMILES_CANONICALCACTVS3.370O[C@H]1CO[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.370O[CH]1CO[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.6C1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O
SMILESOpenEye OEToolkits1.7.6C1C(C(C(C(O1)COP(=O)(O)O)O)O)O

218853

PDB entries from 2024-04-24

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