[(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate

C8H12O5 — CID 164917808

IUPAC[(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate
SMILESCC(=O)O[C@H]1C[C@@H]2OC[C@@H](O)[C@H]2O1
InChIInChI=1S/C8H12O5/c1-4(9)12-7-2-6-8(13-7)5(10)3-11-6/h5-8,10H,2-3H2,1H3/t5-,6+,7-,8-/m1/s1
InChIKeyVIVJFWZHVABLPV-ULAWRXDQSA-N
MW188.18 g/mol
LogP-0.58
Rot. Bonds1

About [(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate

[(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate (PubChem CID 164917808) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is [(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate.

Molecular Properties

Compound Name[(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate
PubChem CID164917808
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name[(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate
SMILESCC(=O)O[C@H]1C[C@@H]2OC[C@@H](O)[C@H]2O1
InChIInChI=1S/C8H12O5/c1-4(9)12-7-2-6-8(13-7)5(10)3-11-6/h5-8,10H,2-3H2,1H3/t5-,6+,7-,8-/m1/s1
InChIKeyVIVJFWZHVABLPV-ULAWRXDQSA-N
XLogP-0.58
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate with MolForge

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Related Compounds

5-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 146506223
[(3R,5R)-3-(4-acetyloxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] 4-acetyloxybenzoate
CID 58890257
(3R,3aR,5R,6aR)-5-butoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 132527848
(3R,5R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,5-diol
CID 102599956
[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate
CID 90165528
[4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate
CID 139844221
[(3R,4aS,5R,6R,7aR)-5-hydroxy-6-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-3-yl] acetate
CID 11106722
[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 44608559
[(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate
CID 56963742
[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl] acetate
CID 149251667
[(2R,4S,5S,6R)-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl] acetate
CID 23240453
CID 160602158
CID 160602158

Frequently Asked Questions

What is the IUPAC name of [(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate?
The IUPAC name of [(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate (CID 164917808) is [(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate.
What is the SMILES notation for [(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate?
The canonical SMILES for [(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate is CC(=O)O[C@H]1C[C@@H]2OC[C@@H](O)[C@H]2O1.
What is the InChIKey of [(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate?
The InChIKey is VIVJFWZHVABLPV-ULAWRXDQSA-N. The full InChI is InChI=1S/C8H12O5/c1-4(9)12-7-2-6-8(13-7)5(10)3-11-6/h5-8,10H,2-3H2,1H3/t5-,6+,7-,8-/m1/s1.
What are the key properties of [(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate?
[(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate has a molecular weight of 188.18 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate is sourced from PubChem (CID 164917808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).