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44H

Summary
Name:D-Mannitol-1-phosphate
Synonyms:1-O-phosphono-D-mannitol
Formula:C6 H15 O9 P
Formal charge:0
Formula weight:262.152 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-O-phosphono-D-mannitol
OpenEye OEToolkits2.0.7[(2~{R},3~{R},4~{R})-2,3,4,5,6-pentakis(oxidanyl)hexyl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(OCC(O)C(O)C(O)C(O)CO)(O)O
InChIInChI1.03InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1
InChIKeyInChI1.03GACTWZZMVMUKNG-KVTDHHQDSA-N
SMILES_CANONICALCACTVS3.385OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
SMILESCACTVS3.385OC[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C([C@H]([C@H]([C@@H](C(CO)O)O)O)O)OP(=O)(O)O
SMILESOpenEye OEToolkits2.0.7C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O

218500

PDB entries from 2024-04-17

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