[(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate

C15H16O6 — CID 11033650

IUPAC[(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate
SMILESCC(=O)O[C@H]1O[C@@H]2OC(=O)C[C@@H]2[C@H]1OCc1ccccc1
InChIInChI=1S/C15H16O6/c1-9(16)19-15-13(11-7-12(17)20-14(11)21-15)18-8-10-5-3-2-4-6-10/h2-6,11,13-15H,7-8H2,1H3/t11-,13-,14+,15+/m1/s1
InChIKeyUKZWLSGHMNVZCV-RZFFKMDDSA-N
MW292.29 g/mol
LogP1.38
Rot. Bonds4

About [(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate

[(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate (PubChem CID 11033650) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is [(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate
PubChem CID11033650
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name[(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate
SMILESCC(=O)O[C@H]1O[C@@H]2OC(=O)C[C@@H]2[C@H]1OCc1ccccc1
InChIInChI=1S/C15H16O6/c1-9(16)19-15-13(11-7-12(17)20-14(11)21-15)18-8-10-5-3-2-4-6-10/h2-6,11,13-15H,7-8H2,1H3/t11-,13-,14+,15+/m1/s1
InChIKeyUKZWLSGHMNVZCV-RZFFKMDDSA-N
XLogP1.38
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate?
The IUPAC name of [(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate (CID 11033650) is [(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate.
What is the SMILES notation for [(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate?
The canonical SMILES for [(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate is CC(=O)O[C@H]1O[C@@H]2OC(=O)C[C@@H]2[C@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate?
The InChIKey is UKZWLSGHMNVZCV-RZFFKMDDSA-N. The full InChI is InChI=1S/C15H16O6/c1-9(16)19-15-13(11-7-12(17)20-14(11)21-15)18-8-10-5-3-2-4-6-10/h2-6,11,13-15H,7-8H2,1H3/t11-,13-,14+,15+/m1/s1.
What are the key properties of [(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate?
[(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate has a molecular weight of 292.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate is sourced from PubChem (CID 11033650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).