(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol

C6H9O3+ — CID 58186662

IUPAC(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol
SMILESO[C@H]1CO[C@H]2O[CH+]C[C@H]21
InChIInChI=1S/C6H9O3/c7-5-3-9-6-4(5)1-2-8-6/h2,4-7H,1,3H2/q+1/t4-,5-,6+/m0/s1
InChIKeyFMLUDYPWZPQGAP-HCWXCVPCSA-N
MW129.14 g/mol
LogP-0.10
Rot. Bonds

About (3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol

(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol (PubChem CID 58186662) has the molecular formula C6H9O3+ and a molecular weight of 129.14 g/mol. Its IUPAC name is (3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol.

Molecular Properties

Compound Name(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol
PubChem CID58186662
Molecular FormulaC6H9O3+
Molecular Weight129.14 g/mol
Exact Mass129.05
IUPAC Name(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol
SMILESO[C@H]1CO[C@H]2O[CH+]C[C@H]21
InChIInChI=1S/C6H9O3/c7-5-3-9-6-4(5)1-2-8-6/h2,4-7H,1,3H2/q+1/t4-,5-,6+/m0/s1
InChIKeyFMLUDYPWZPQGAP-HCWXCVPCSA-N
XLogP-0.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol with MolForge

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Related Compounds

(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;(3aR,4R,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 159842811
(3aR,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 124524160
(3aS,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 69459334
bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol
CID 158449841
(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
(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane
CID 142011906
(4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol
CID 178051967
2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan-3-ol
CID 85176245
(3R,3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-diol
CID 121459311
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol
CID 163497744
(3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 89160443

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol?
The IUPAC name of (3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol (CID 58186662) is (3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol.
What is the SMILES notation for (3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol?
The canonical SMILES for (3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol is O[C@H]1CO[C@H]2O[CH+]C[C@H]21.
What is the InChIKey of (3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol?
The InChIKey is FMLUDYPWZPQGAP-HCWXCVPCSA-N. The full InChI is InChI=1S/C6H9O3/c7-5-3-9-6-4(5)1-2-8-6/h2,4-7H,1,3H2/q+1/t4-,5-,6+/m0/s1.
What are the key properties of (3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol?
(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol has a molecular weight of 129.14 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol is sourced from PubChem (CID 58186662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).