58Y

(2R,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methylhexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

Created:2015-08-26
Last modified:  2016-09-07

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count6
Bond Count30
Aromatic Bond Count0
2D diagram of 58Y

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Chemical Component Summary

Name(2R,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methylhexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
Systematic Name (OpenEye OEToolkits)(2R,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol
FormulaC8 H15 N O4 S
Molecular Weight221.274
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C12C(C(C(O)C(CO)O1)O)NC(S2)C
SMILESCACTVS3.385C[CH]1N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1
SMILESOpenEye OEToolkits1.9.2CC1NC2C(C(C(OC2S1)CO)O)O
Canonical SMILESCACTVS3.385 C[C@@H]1N[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]2S1
Canonical SMILESOpenEye OEToolkits1.9.2 C[C@@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O
InChIInChI1.03 InChI=1S/C8H15NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h3-12H,2H2,1H3/t3-,4-,5-,6+,7-,8-/m1/s1
InChIKeyInChI1.03 XWPUWEBFKDEDIF-CVBHLRHXSA-N

Related Resource References

Resource NameReference
PubChem 121595967