(3S,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-ol

C6H8O3 — CID 130761639

IUPAC(3S,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-ol
SMILESO[C@H]1CO[C@@H]2C=CO[C@H]12
InChIInChI=1S/C6H8O3/c7-4-3-9-5-1-2-8-6(4)5/h1-2,4-7H,3H2/t4-,5+,6+/m0/s1
InChIKeyRMWKNPUEMIQVLB-KVQBGUIXSA-N
MW128.13 g/mol
LogP-0.34
Rot. Bonds

About (3S,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-ol

(3S,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-ol (PubChem CID 130761639) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (3S,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-ol.

Molecular Properties

Compound Name(3S,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-ol
PubChem CID130761639
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(3S,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-ol
SMILESO[C@H]1CO[C@@H]2C=CO[C@H]12
InChIInChI=1S/C6H8O3/c7-4-3-9-5-1-2-8-6(4)5/h1-2,4-7H,3H2/t4-,5+,6+/m0/s1
InChIKeyRMWKNPUEMIQVLB-KVQBGUIXSA-N
XLogP-0.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-ol?
The IUPAC name of (3S,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-ol (CID 130761639) is (3S,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-ol.
What is the SMILES notation for (3S,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-ol?
The canonical SMILES for (3S,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-ol is O[C@H]1CO[C@@H]2C=CO[C@H]12.
What is the InChIKey of (3S,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-ol?
The InChIKey is RMWKNPUEMIQVLB-KVQBGUIXSA-N. The full InChI is InChI=1S/C6H8O3/c7-4-3-9-5-1-2-8-6(4)5/h1-2,4-7H,3H2/t4-,5+,6+/m0/s1.
What are the key properties of (3S,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-ol?
(3S,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-ol has a molecular weight of 128.13 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-ol is sourced from PubChem (CID 130761639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).