(2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

C14H16O5 — CID 164617552

IUPAC(2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESO=C1C[C@H]2O[C@H](CO)[C@@H](OCc3ccccc3)[C@H]2O1
InChIInChI=1S/C14H16O5/c15-7-11-13(14-10(18-11)6-12(16)19-14)17-8-9-4-2-1-3-5-9/h1-5,10-11,13-15H,6-8H2/t10-,11-,13-,14+/m1/s1
InChIKeyQBOXFMZNUHUXSZ-OXHZDVMGSA-N
MW264.28 g/mol
LogP0.65
Rot. Bonds4

About (2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

(2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (PubChem CID 164617552) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.

Molecular Properties

Compound Name(2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
PubChem CID164617552
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name(2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESO=C1C[C@H]2O[C@H](CO)[C@@H](OCc3ccccc3)[C@H]2O1
InChIInChI=1S/C14H16O5/c15-7-11-13(14-10(18-11)6-12(16)19-14)17-8-9-4-2-1-3-5-9/h1-5,10-11,13-15H,6-8H2/t10-,11-,13-,14+/m1/s1
InChIKeyQBOXFMZNUHUXSZ-OXHZDVMGSA-N
XLogP0.65
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one with MolForge

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

Launch Full Analysis

Related Compounds

Soraphen A
CID 5281897
(+)-Goniofufurone
CID 11096987
7-epi-Goniofufurone
CID 44576067
(2R,3S,3aR,6aR)-3-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 10399840
(+)-Crassalactone B
CID 44566459
Crassalactone C
CID 44566460
(4R,5S,6S,7S,8R)-4,5-diethoxy-6,7-dihydroxy-8-phenyloxocan-2-one
CID 9840225
9-Deoxygoniopypyrone
CID 126233
(-)-Etharvensin
CID 177414
(1R,2R,4S,5S,7S)-4-phenyl-3,6,10-trioxatricyclo[5.3.0.02,5]decan-9-one
CID 25032962
(5S)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one
CID 46837311
[(R)-[(2S,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-phenylmethyl] benzoate
CID 46837312

Frequently Asked Questions

What is the IUPAC name of (2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The IUPAC name of (2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (CID 164617552) is (2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.
What is the SMILES notation for (2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The canonical SMILES for (2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is O=C1C[C@H]2O[C@H](CO)[C@@H](OCc3ccccc3)[C@H]2O1.
What is the InChIKey of (2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The InChIKey is QBOXFMZNUHUXSZ-OXHZDVMGSA-N. The full InChI is InChI=1S/C14H16O5/c15-7-11-13(14-10(18-11)6-12(16)19-14)17-8-9-4-2-1-3-5-9/h1-5,10-11,13-15H,6-8H2/t10-,11-,13-,14+/m1/s1.
What are the key properties of (2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
(2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one has a molecular weight of 264.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,3aS,6aR)-2-(hydroxymethyl)-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is sourced from PubChem (CID 164617552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).