AZF
AZAFAGOMINE
Created: | 2006-10-08 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 22 |
Chiral Atom Count | 3 |
Bond Count | 22 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | AZAFAGOMINE |
Systematic Name (OpenEye OEToolkits) | (3R,4R,5R)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol |
Formula | C5 H12 N2 O3 |
Molecular Weight | 148.16 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC1C(NNCC1O)CO |
SMILES | CACTVS | 3.341 | OC[CH]1NNC[CH](O)[CH]1O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(NN1)CO)O)O |
Canonical SMILES | CACTVS | 3.341 | OC[C@H]1NNC[C@@H](O)[C@@H]1O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C1[C@H]([C@@H]([C@H](NN1)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5-/m1/s1 |
InChIKey | InChI | 1.03 | PPPMSBCQTLJPKM-UOWFLXDJSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 10329422 |