(3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C11H18O5 — CID 59018729

IUPAC(3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESO[C@H]1CO[C@@H]2[C@H]1OC[C@H]2OC1CCCCO1
InChIInChI=1S/C11H18O5/c12-7-5-14-11-8(6-15-10(7)11)16-9-3-1-2-4-13-9/h7-12H,1-6H2/t7-,8+,9?,10-,11-/m0/s1
InChIKeyCNBHBZZWRUQPTN-GDPLYGHDSA-N
MW230.26 g/mol
LogP0.06
Rot. Bonds2

About (3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

(3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 59018729) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

Molecular Properties

Compound Name(3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
PubChem CID59018729
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESO[C@H]1CO[C@@H]2[C@H]1OC[C@H]2OC1CCCCO1
InChIInChI=1S/C11H18O5/c12-7-5-14-11-8(6-15-10(7)11)16-9-3-1-2-4-13-9/h7-12H,1-6H2/t7-,8+,9?,10-,11-/m0/s1
InChIKeyCNBHBZZWRUQPTN-GDPLYGHDSA-N
XLogP0.06
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol with MolForge

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Related Compounds

(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;[(3R,3aR,6S,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] acetate;(3S,3aR,6R,6aR)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6S,6aR)-3-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] acetate
CID 161034005
2-(oxan-2-yloxy)cyclopentan-1-ol
CID 86732994
2-(oxetan-3-yloxy)oxane
CID 54083112
trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 124784404
cis-(1S,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 86316698
(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 129010301
(3aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 145221120
2-[(1S,2S)-2-methylcyclohexyl]oxyoxane
CID 10104198
3-(oxan-2-yloxy)cyclobutan-1-ol
CID 155584587
2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane
CID 131843933
(3S,3aR,6R,6aR)-6-ethenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;(3R,3aR,6S,6aR)-6-ethenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 158411380
[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] formate
CID 88891348

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The IUPAC name of (3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 59018729) is (3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.
What is the SMILES notation for (3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The canonical SMILES for (3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is O[C@H]1CO[C@@H]2[C@H]1OC[C@H]2OC1CCCCO1.
What is the InChIKey of (3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The InChIKey is CNBHBZZWRUQPTN-GDPLYGHDSA-N. The full InChI is InChI=1S/C11H18O5/c12-7-5-14-11-8(6-15-10(7)11)16-9-3-1-2-4-13-9/h7-12H,1-6H2/t7-,8+,9?,10-,11-/m0/s1.
What are the key properties of (3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
(3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol has a molecular weight of 230.26 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is sourced from PubChem (CID 59018729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).