GC3

(3AR,5R,6S,7R,7AR)-2,5-BIS(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL

Created:2010-11-02
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count5
Bond Count29
Aromatic Bond Count0
2D diagram of GC3

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name(3AR,5R,6S,7R,7AR)-2,5-BIS(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL
Systematic Name (OpenEye OEToolkits)(3aR,5R,6S,7R,7aR)-2,5-bis(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[5,6-d][1,3]oxazole-6,7-diol
FormulaC8 H13 N O6
Molecular Weight219.192
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04N1=C(OC2OC(C(O)C(O)C12)CO)CO
SMILESCACTVS3.352OC[CH]1O[CH]2OC(=N[CH]2[CH](O)[CH]1O)CO
SMILESOpenEye OEToolkits1.6.1C(C1C(C(C2C(O1)OC(=N2)CO)O)O)O
Canonical SMILESCACTVS3.352 OC[C@H]1O[C@@H]2OC(=N[C@@H]2[C@@H](O)[C@@H]1O)CO
Canonical SMILESOpenEye OEToolkits1.6.1 C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OC(=N2)CO)O)O)O
InChIInChI1.03 InChI=1S/C8H13NO6/c10-1-3-6(12)7(13)5-8(14-3)15-4(2-11)9-5/h3,5-8,10-13H,1-2H2/t3-,5-,6-,7-,8-/m1/s1
InChIKeyInChI1.03 FAUNLXBEFZYFSG-PNAXYBNRSA-N

Related Resource References

Resource NameReference
PubChem 137349421