MNM

(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE

Created: 2005-08-31
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count4
Bond Count24
Aromatic Bond Count0
2D diagram of MNM

Chemical Component Summary

Name(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE
Systematic Name (OpenEye OEToolkits)(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol
FormulaC6 H13 N O4
Molecular Weight163.172
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04OC1C(CNC(O)C1O)CO
SMILESCACTVS3.341OC[CH]1CN[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits1.5.0C1C(C(C(C(N1)O)O)O)CO
Canonical SMILESCACTVS3.341 OC[C@H]1CN[C@@H](O)[C@@H](O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits1.5.0 C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO
InChIInChI1.03 InChI=1S/C6H13NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-11H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKeyInChI1.03 BHOYFRIRWXBNHP-ZXXMMSQZSA-N

Related Resource References

Resource NameReference
PubChem 11840962