DVC

(2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol

Created: 2011-01-10
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count3
Bond Count27
Aromatic Bond Count0
2D diagram of DVC

Chemical Component Summary

Name(2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol
Systematic Name (OpenEye OEToolkits)(2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol
FormulaC7 H15 N O4
Molecular Weight177.198
TypeL-SACCHARIDE, ALPHA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01OC1OC(C(O)(O)C(N)(C)C1)C
SMILESCACTVS3.370C[CH]1O[CH](O)C[C](C)(N)C1(O)O
SMILESOpenEye OEToolkits1.7.0CC1C(C(CC(O1)O)(C)N)(O)O
Canonical SMILESCACTVS3.370 C[C@@H]1O[C@@H](O)C[C@](C)(N)C1(O)O
Canonical SMILESOpenEye OEToolkits1.7.0 C[C@H]1C([C@@](C[C@@H](O1)O)(C)N)(O)O
InChIInChI1.03 InChI=1S/C7H15NO4/c1-4-7(10,11)6(2,8)3-5(9)12-4/h4-5,9-11H,3,8H2,1-2H3/t4-,5+,6-/m0/s1
InChIKeyInChI1.03 ATGUYZRYRGIDLC-JKUQZMGJSA-N

Related Resource References

Resource NameReference
PubChem 56923586