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

C6H10O3 — CID 89160443

IUPAC(3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESO[C@@H]1CO[C@H]2CCO[C@@H]12
InChIInChI=1S/C6H10O3/c7-4-3-9-5-1-2-8-6(4)5/h4-7H,1-3H2/t4-,5+,6+/m1/s1
InChIKeyUBVWYDZEQJSKOY-SRQIZXRXSA-N
MW130.14 g/mol
LogP-0.47
Rot. Bonds

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

(3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (PubChem CID 89160443) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.

Molecular Properties

Compound Name(3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
PubChem CID89160443
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESO[C@@H]1CO[C@H]2CCO[C@@H]12
InChIInChI=1S/C6H10O3/c7-4-3-9-5-1-2-8-6(4)5/h4-7H,1-3H2/t4-,5+,6+/m1/s1
InChIKeyUBVWYDZEQJSKOY-SRQIZXRXSA-N
XLogP-0.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The IUPAC name of (3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (CID 89160443) is (3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.
What is the SMILES notation for (3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The canonical SMILES for (3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is O[C@@H]1CO[C@H]2CCO[C@@H]12.
What is the InChIKey of (3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The InChIKey is UBVWYDZEQJSKOY-SRQIZXRXSA-N. The full InChI is InChI=1S/C6H10O3/c7-4-3-9-5-1-2-8-6(4)5/h4-7H,1-3H2/t4-,5+,6+/m1/s1.
What are the key properties of (3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
(3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol has a molecular weight of 130.14 g/mol, XLogP of -0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is sourced from PubChem (CID 89160443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).