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 | |
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Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 4 |
Bond Count | 26 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol |
Synonyms | L-actinosamine |
Systematic Name (OpenEye OEToolkits) | (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol |
Formula | C7 H15 N O3 |
Molecular Weight | 161.199 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CO[CH]1[CH](N)C[CH](O)O[CH]1C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(C(CC(O1)O)N)OC |
Canonical SMILES | CACTVS | 3.385 | CO[C@@H]1[C@@H](N)C[C@H](O)O[C@H]1C |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C[C@H]1[C@@H]([C@H](C[C@H](O1)O)N)OC |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | ZECQVPSAXSIXIC-KQXJUZEQSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 165618787 |