(3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

C24H32O7 — CID 22803372

IUPAC(3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESOC1C[C@@H]2[C@@H](/C=C/C3(COc4ccccc4)OCCO3)[C@H](OC3CCCCO3)C[C@@H]2O1
InChIInChI=1S/C24H32O7/c25-22-14-19-18(20(15-21(19)30-22)31-23-8-4-5-11-26-23)9-10-24(28-12-13-29-24)16-27-17-6-2-1-3-7-17/h1-3,6-7,9-10,18-23,25H,4-5,8,11-16H2/b10-9+/t18-,19-,20-,21+,22?,23?/m1/s1
InChIKeyNACKYTAFKNILFJ-VJCWFLBPSA-N
MW432.51 g/mol
LogP3.02
Rot. Bonds7

About (3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

(3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 22803372) has the molecular formula C24H32O7 and a molecular weight of 432.51 g/mol. Its IUPAC name is (3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name(3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID22803372
Molecular FormulaC24H32O7
Molecular Weight432.51 g/mol
Exact Mass432.21
IUPAC Name(3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESOC1C[C@@H]2[C@@H](/C=C/C3(COc4ccccc4)OCCO3)[C@H](OC3CCCCO3)C[C@@H]2O1
InChIInChI=1S/C24H32O7/c25-22-14-19-18(20(15-21(19)30-22)31-23-8-4-5-11-26-23)9-10-24(28-12-13-29-24)16-27-17-6-2-1-3-7-17/h1-3,6-7,9-10,18-23,25H,4-5,8,11-16H2/b10-9+/t18-,19-,20-,21+,22?,23?/m1/s1
InChIKeyNACKYTAFKNILFJ-VJCWFLBPSA-N
XLogP3.02
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol 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 (3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of (3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 22803372) is (3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for (3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for (3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is OC1C[C@@H]2[C@@H](/C=C/C3(COc4ccccc4)OCCO3)[C@H](OC3CCCCO3)C[C@@H]2O1.
What is the InChIKey of (3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is NACKYTAFKNILFJ-VJCWFLBPSA-N. The full InChI is InChI=1S/C24H32O7/c25-22-14-19-18(20(15-21(19)30-22)31-23-8-4-5-11-26-23)9-10-24(28-12-13-29-24)16-27-17-6-2-1-3-7-17/h1-3,6-7,9-10,18-23,25H,4-5,8,11-16H2/b10-9+/t18-,19-,20-,21+,22?,23?/m1/s1.
What are the key properties of (3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
(3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 432.51 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 22803372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).