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 | |
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Formal Charge | 0 |
Atom Count | 27 |
Chiral Atom Count | 3 |
Bond Count | 27 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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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 |
Formula | C7 H15 N O4 |
Molecular Weight | 177.198 |
Type | L-SACCHARIDE, ALPHA LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC1OC(C(O)(O)C(N)(C)C1)C |
SMILES | CACTVS | 3.370 | C[CH]1O[CH](O)C[C](C)(N)C1(O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC1C(C(CC(O1)O)(C)N)(O)O |
Canonical SMILES | CACTVS | 3.370 | C[C@@H]1O[C@@H](O)C[C@](C)(N)C1(O)O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | C[C@H]1C([C@@](C[C@@H](O1)O)(C)N)(O)O |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | ATGUYZRYRGIDLC-JKUQZMGJSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 56923586 |