(3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol

C15H20O5 — CID 134833134

IUPAC(3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol
SMILESCOC1O[C@@H]2[C@H](O)CC[C@]2(OCc2ccccc2)[C@H]1O
InChIInChI=1S/C15H20O5/c1-18-14-12(17)15(8-7-11(16)13(15)20-14)19-9-10-5-3-2-4-6-10/h2-6,11-14,16-17H,7-9H2,1H3/t11-,12+,13-,14?,15+/m1/s1
InChIKeySYLRZTUEWNEACS-LJIAPDMLSA-N
MW280.32 g/mol
LogP0.83
Rot. Bonds4

About (3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol

(3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol (PubChem CID 134833134) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is (3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol.

Molecular Properties

Compound Name(3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol
PubChem CID134833134
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name(3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol
SMILESCOC1O[C@@H]2[C@H](O)CC[C@]2(OCc2ccccc2)[C@H]1O
InChIInChI=1S/C15H20O5/c1-18-14-12(17)15(8-7-11(16)13(15)20-14)19-9-10-5-3-2-4-6-10/h2-6,11-14,16-17H,7-9H2,1H3/t11-,12+,13-,14?,15+/m1/s1
InChIKeySYLRZTUEWNEACS-LJIAPDMLSA-N
XLogP0.83
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol 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 (3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol?
The IUPAC name of (3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol (CID 134833134) is (3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol.
What is the SMILES notation for (3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol?
The canonical SMILES for (3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol is COC1O[C@@H]2[C@H](O)CC[C@]2(OCc2ccccc2)[C@H]1O.
What is the InChIKey of (3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol?
The InChIKey is SYLRZTUEWNEACS-LJIAPDMLSA-N. The full InChI is InChI=1S/C15H20O5/c1-18-14-12(17)15(8-7-11(16)13(15)20-14)19-9-10-5-3-2-4-6-10/h2-6,11-14,16-17H,7-9H2,1H3/t11-,12+,13-,14?,15+/m1/s1.
What are the key properties of (3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol?
(3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol has a molecular weight of 280.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6R,6aR)-2-methoxy-3a-phenylmethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,6-diol is sourced from PubChem (CID 134833134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).