GOO

(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol

Created: 2008-07-25
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count5
Bond Count24
Aromatic Bond Count0
2D diagram of GOO

Chemical Component Summary

Name(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol
Systematic Name (OpenEye OEToolkits)(1R,2R,3R,4S,5R)-4-amino-5-methoxy-cyclopentane-1,2,3-triol
FormulaC6 H13 N O4
Molecular Weight163.172
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04OC1C(N)C(OC)C(O)C1O
SMILESCACTVS3.341CO[CH]1[CH](N)[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits1.5.0COC1C(C(C(C1O)O)O)N
Canonical SMILESCACTVS3.341 CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Canonical SMILESOpenEye OEToolkits1.5.0 CO[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N
InChIInChI1.03 InChI=1S/C6H13NO4/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
InChIKeyInChI1.03 NLCVJSNNNWJBCS-YDMGZANHSA-N

Related Resource References

Resource NameReference
PubChem 11636858
ChEMBL CHEMBL427643