RSG

(3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol

Created: 2011-05-04
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count3
Bond Count20
Aromatic Bond Count0
2D diagram of RSG

Chemical Component Summary

Name(3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol
Systematic Name (OpenEye OEToolkits)(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
FormulaC6 H10 O3
Molecular Weight130.142
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01OC1COC2OCCC12
SMILESCACTVS3.370O[CH]1CO[CH]2OCC[CH]12
SMILESOpenEye OEToolkits1.7.2C1COC2C1C(CO2)O
Canonical SMILESCACTVS3.370 O[C@@H]1CO[C@@H]2OCC[C@H]12
Canonical SMILESOpenEye OEToolkits1.7.2 C1CO[C@@H]2[C@H]1[C@@H](CO2)O
InChIInChI1.03 InChI=1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyInChI1.03 RCDXYCHYMULCDZ-PBXRRBTRSA-N

Related Resource References

Resource NameReference
PubChem 10374488