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1Y7

Summary
Name:(2R,3R,4S,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl dihydrogen phosphate
Formula:C7 H17 O10 P
Formal charge:0
Formula weight:292.178 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R,3R,4S,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl dihydrogen phosphate
OpenEye OEToolkits1.7.6[(2R,3R,4S,5R,6S)-2,3,4,5,6,7-hexakis(oxidanyl)heptyl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(OCC(O)C(O)C(O)C(O)C(O)CO)(O)O
InChIInChI1.03InChI=1S/C7H17O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h3-13H,1-2H2,(H2,14,15,16)/t3-,4+,5+,6+,7-/m0/s1
InChIKeyInChI1.03RCCDYOCQCITNBH-CJZRUXIPSA-N
SMILES_CANONICALCACTVS3.385OC[C@H](O)[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)[CH](O)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6C([C@@H]([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O)O
SMILESOpenEye OEToolkits1.7.6C(C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O)O

223532

數據於2024-08-07公開中

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