AGK

(3R,4S,5R)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol

Created: 2015-03-17
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count3
Bond Count22
Aromatic Bond Count0
2D diagram of AGK

Chemical Component Summary

Name(3R,4S,5R)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol
SynonymsAZA-GALACTO-FAGOMINE
Systematic Name (OpenEye OEToolkits)(3R,4S,5R)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol
FormulaC5 H12 N2 O3
Molecular Weight148.16
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385OC[CH]1NNC[CH](O)[CH]1O
SMILESOpenEye OEToolkits1.7.6C1C(C(C(NN1)CO)O)O
Canonical SMILESCACTVS3.385 OC[C@H]1NNC[C@@H](O)[C@H]1O
Canonical SMILESOpenEye OEToolkits1.7.6 C1[C@H]([C@H]([C@H](NN1)CO)O)O
InChIInChI1.03 InChI=1S/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5+/m1/s1
InChIKeyInChI1.03 PPPMSBCQTLJPKM-WDCZJNDASA-N

Related Resource References

Resource NameReference
PubChem 10012059