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D6P

Summary
Name:(3,4,5,7-TETRAHYDROXY-HEPT-1-ENYL)-PHOSPHONIC ACID
Synonyms:2-DEOXY-D-GLUCITOL 6-(E)-VINYLHOMOPHOSPHONATE
Formula:C7 H15 O7 P
Formal charge:0
Formula weight:242.164 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(6E)-2,6,7-trideoxy-7-phosphono-D-arabino-hept-6-enitol
OpenEye OEToolkits1.5.0[(E,3R,4S,5R)-3,4,5,7-tetrahydroxyhept-1-enyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)/C=C/C(O)C(O)C(O)CCO
SMILES_CANONICALCACTVS3.341OCC[C@@H](O)[C@H](O)[C@H](O)\C=C\[P](O)(O)=O
SMILESCACTVS3.341OCC[CH](O)[CH](O)[CH](O)C=C[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(CO)[C@H]([C@@H]([C@@H](\C=C\P(=O)(O)O)O)O)O
SMILESOpenEye OEToolkits1.5.0C(CO)C(C(C(C=CP(=O)(O)O)O)O)O
InChIInChI1.03InChI=1S/C7H15O7P/c8-3-1-5(9)7(11)6(10)2-4-15(12,13)14/h2,4-11H,1,3H2,(H2,12,13,14)/b4-2+/t5-,6-,7+/m1/s1
InChIKeyInChI1.03CZQSGBWQBMZTMQ-AEVYZNAZSA-N

223532

数据于2024-08-07公开中

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