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QPJ

Summary
Name:2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol
Formula:C5 H14 O10 P2
Formal charge:0
Formula weight:296.106 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-deoxy-3,5-di-O-phosphono-D-erythro-pentitol
OpenEye OEToolkits2.0.7[(2~{R},3~{S})-2,5-bis(oxidanyl)-1-phosphonooxy-pentan-3-yl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01P(O)(O)(OCC(O)C(CCO)OP(O)(O)=O)=O
InChIInChI1.03InChI=1S/C5H14O10P2/c6-2-1-5(15-17(11,12)13)4(7)3-14-16(8,9)10/h4-7H,1-3H2,(H2,8,9,10)(H2,11,12,13)/t4-,5+/m1/s1
InChIKeyInChI1.03BUWHXMOYXFBKFR-UHNVWZDZSA-N
SMILES_CANONICALCACTVS3.385OCC[C@H](O[P](O)(O)=O)[C@H](O)CO[P](O)(O)=O
SMILESCACTVS3.385OCC[CH](O[P](O)(O)=O)[CH](O)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)OP(=O)(O)O
SMILESOpenEye OEToolkits2.0.7C(CO)C(C(COP(=O)(O)O)O)OP(=O)(O)O

222415

数据于2024-07-10公开中

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