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M6R

Summary
Name:5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-MANNITOL
Formula:C6 H16 N O8 P
Formal charge:0
Formula weight:261.167 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-amino-5-deoxy-1-O-phosphono-D-mannitol
OpenEye OEToolkits1.5.0[(2R,3S,4R,5R)-5-amino-2,3,4,6-tetrahydroxy-hexyl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCC(O)C(O)C(O)C(N)CO
SMILES_CANONICALCACTVS3.341N[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
SMILESCACTVS3.341N[CH](CO)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O
SMILESOpenEye OEToolkits1.5.0C(C(C(C(C(COP(=O)(O)O)O)O)O)N)O
InChIInChI1.03InChI=1S/C6H16NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h3-6,8-11H,1-2,7H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1
InChIKeyInChI1.03LBNVXZROMBUNNQ-KVTDHHQDSA-N

222415

數據於2024-07-10公開中

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