(3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one

C6H8O3S — CID 71505435

IUPAC(3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one
SMILESO=C1C[C@H]2SC[C@H](O)[C@H]2O1
InChIInChI=1S/C6H8O3S/c7-3-2-10-4-1-5(8)9-6(3)4/h3-4,6-7H,1-2H2/t3-,4+,6+/m0/s1
InChIKeyFNZBQNPNBNPDHK-MRKVFDINSA-N
MW160.19 g/mol
LogP-0.22
Rot. Bonds

About (3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one

(3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one (PubChem CID 71505435) has the molecular formula C6H8O3S and a molecular weight of 160.19 g/mol. Its IUPAC name is (3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one.

Molecular Properties

Compound Name(3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one
PubChem CID71505435
Molecular FormulaC6H8O3S
Molecular Weight160.19 g/mol
Exact Mass160.02
IUPAC Name(3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one
SMILESO=C1C[C@H]2SC[C@H](O)[C@H]2O1
InChIInChI=1S/C6H8O3S/c7-3-2-10-4-1-5(8)9-6(3)4/h3-4,6-7H,1-2H2/t3-,4+,6+/m0/s1
InChIKeyFNZBQNPNBNPDHK-MRKVFDINSA-N
XLogP-0.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one with MolForge

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Related Compounds

(3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one
CID 10702102
2-[(3aR,4R,6aS)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]acetic acid
CID 151349231
(4S,5R)-4-ethylsulfanyl-5-[(1R)-1-hydroxyethyl]oxolan-2-one
CID 66553644
[(3aR,6R,6aR)-2-oxo-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-6-yl] acetate
CID 71503872
4-Ethylsulfanyl-5-(1-hydroxyethyl)oxolan-2-one
CID 77139787
6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one
CID 78090303
(5S)-4-ethylsulfanyl-5-[(1S)-1-hydroxyethyl]oxolan-2-one
CID 131014863

Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one?
The IUPAC name of (3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one (CID 71505435) is (3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one.
What is the SMILES notation for (3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one?
The canonical SMILES for (3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one is O=C1C[C@H]2SC[C@H](O)[C@H]2O1.
What is the InChIKey of (3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one?
The InChIKey is FNZBQNPNBNPDHK-MRKVFDINSA-N. The full InChI is InChI=1S/C6H8O3S/c7-3-2-10-4-1-5(8)9-6(3)4/h3-4,6-7H,1-2H2/t3-,4+,6+/m0/s1.
What are the key properties of (3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one?
(3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one has a molecular weight of 160.19 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one is sourced from PubChem (CID 71505435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).