(3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol

C23H34O5 — CID 10110977

IUPAC(3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
SMILESOC1C[C@@H]2[C@@H](CC[C@H](CCc3ccccc3)OC3CCCCO3)[C@H](O)C[C@@H]2O1
InChIInChI=1S/C23H34O5/c24-20-15-21-19(14-22(25)28-21)18(20)12-11-17(27-23-8-4-5-13-26-23)10-9-16-6-2-1-3-7-16/h1-3,6-7,17-25H,4-5,8-15H2/t17-,18+,19+,20+,21-,22?,23?/m0/s1
InChIKeyMBFOKLFJZHHHQN-CWXMQIGYSA-N
MW390.52 g/mol
LogP3.42
Rot. Bonds8

About (3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol

(3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol (PubChem CID 10110977) has the molecular formula C23H34O5 and a molecular weight of 390.52 g/mol. Its IUPAC name is (3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol.

Molecular Properties

Compound Name(3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
PubChem CID10110977
Molecular FormulaC23H34O5
Molecular Weight390.52 g/mol
Exact Mass390.24
IUPAC Name(3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
SMILESOC1C[C@@H]2[C@@H](CC[C@H](CCc3ccccc3)OC3CCCCO3)[C@H](O)C[C@@H]2O1
InChIInChI=1S/C23H34O5/c24-20-15-21-19(14-22(25)28-21)18(20)12-11-17(27-23-8-4-5-13-26-23)10-9-16-6-2-1-3-7-16/h1-3,6-7,17-25H,4-5,8-15H2/t17-,18+,19+,20+,21-,22?,23?/m0/s1
InChIKeyMBFOKLFJZHHHQN-CWXMQIGYSA-N
XLogP3.42
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol?
The IUPAC name of (3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol (CID 10110977) is (3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol.
What is the SMILES notation for (3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol?
The canonical SMILES for (3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol is OC1C[C@@H]2[C@@H](CC[C@H](CCc3ccccc3)OC3CCCCO3)[C@H](O)C[C@@H]2O1.
What is the InChIKey of (3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol?
The InChIKey is MBFOKLFJZHHHQN-CWXMQIGYSA-N. The full InChI is InChI=1S/C23H34O5/c24-20-15-21-19(14-22(25)28-21)18(20)12-11-17(27-23-8-4-5-13-26-23)10-9-16-6-2-1-3-7-16/h1-3,6-7,17-25H,4-5,8-15H2/t17-,18+,19+,20+,21-,22?,23?/m0/s1.
What are the key properties of (3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol?
(3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol has a molecular weight of 390.52 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,5R,6aS)-4-[(3R)-3-(oxan-2-yloxy)-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol is sourced from PubChem (CID 10110977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).