XXD

(2S)-pentane-1,2,5-triol

Created:2011-11-10
Last modified:  2011-11-10

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count1
Bond Count19
Aromatic Bond Count0
2D diagram of XXD

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Chemical Component Summary

Name(2S)-pentane-1,2,5-triol
Systematic Name (OpenEye OEToolkits)(2S)-pentane-1,2,5-triol
FormulaC5 H12 O3
Molecular Weight120.147
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OCCCC(O)CO
SMILESCACTVS3.370OCCC[CH](O)CO
SMILESOpenEye OEToolkits1.7.2C(CC(CO)O)CO
Canonical SMILESCACTVS3.370 OCCC[C@H](O)CO
Canonical SMILESOpenEye OEToolkits1.7.2 C(C[C@@H](CO)O)CO
InChIInChI1.03 InChI=1S/C5H12O3/c6-3-1-2-5(8)4-7/h5-8H,1-4H2/t5-/m0/s1
InChIKeyInChI1.03 WEAYWASEBDOLRG-YFKPBYRVSA-N

Related Resource References

Resource NameReference
PubChem 11051630