YBJ

(2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol

Created: 2021-02-16
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count4
Bond Count26
Aromatic Bond Count0
2D diagram of YBJ

Chemical Component Summary

Name(2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol
SynonymsL-actinosamine
Systematic Name (OpenEye OEToolkits)(2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol
FormulaC7 H15 N O3
Molecular Weight161.199
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CO[CH]1[CH](N)C[CH](O)O[CH]1C
SMILESOpenEye OEToolkits2.0.7CC1C(C(CC(O1)O)N)OC
Canonical SMILESCACTVS3.385 CO[C@@H]1[C@@H](N)C[C@H](O)O[C@H]1C
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@H]1[C@@H]([C@H](C[C@H](O1)O)N)OC
InChIInChI1.03 InChI=1S/C7H15NO3/c1-4-7(10-2)5(8)3-6(9)11-4/h4-7,9H,3,8H2,1-2H3/t4-,5-,6?,7-/m0/s1
InChIKeyInChI1.03 ZECQVPSAXSIXIC-KQXJUZEQSA-N

Related Resource References

Resource NameReference
PubChem 165618787