1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate

C10H14O6 — CID 139584261

IUPAC1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate
SMILESCC(=O)OC(C)[C@@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O
InChIInChI=1S/C10H14O6/c1-4(14-5(2)11)9-8(13)10-6(15-9)3-7(12)16-10/h4,6,8-10,13H,3H2,1-2H3/t4?,6-,8+,9+,10+/m1/s1
InChIKeyWUHFOIPFQKEGNR-VEDATXIZSA-N
MW230.22 g/mol
LogP-0.62
Rot. Bonds2

About 1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate

1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate (PubChem CID 139584261) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate.

Molecular Properties

Compound Name1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate
PubChem CID139584261
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate
SMILESCC(=O)OC(C)[C@@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O
InChIInChI=1S/C10H14O6/c1-4(14-5(2)11)9-8(13)10-6(15-9)3-7(12)16-10/h4,6,8-10,13H,3H2,1-2H3/t4?,6-,8+,9+,10+/m1/s1
InChIKeyWUHFOIPFQKEGNR-VEDATXIZSA-N
XLogP-0.62
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate?
The IUPAC name of 1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate (CID 139584261) is 1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate.
What is the SMILES notation for 1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate?
The canonical SMILES for 1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate is CC(=O)OC(C)[C@@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O.
What is the InChIKey of 1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate?
The InChIKey is WUHFOIPFQKEGNR-VEDATXIZSA-N. The full InChI is InChI=1S/C10H14O6/c1-4(14-5(2)11)9-8(13)10-6(15-9)3-7(12)16-10/h4,6,8-10,13H,3H2,1-2H3/t4?,6-,8+,9+,10+/m1/s1.
What are the key properties of 1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate?
1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate has a molecular weight of 230.22 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl acetate is sourced from PubChem (CID 139584261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).