sodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride

C23H35F4NaO4 — CID 173420258

IUPACsodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride
SMILESCCCCC(C)([C@H](O)/C=C/[C@@H]1[C@H]2C(F)C(/C=C/CCC(=O)O)O[C@H]2C[C@H]1C)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C23H34F4O4.Na.H/c1-4-5-12-22(3,23(25,26)27)18(28)11-10-15-14(2)13-17-20(15)21(24)16(31-17)8-6-7-9-19(29)30;;/h6,8,10-11,14-18,20-21,28H,4-5,7,9,12-13H2,1-3H3,(H,29,30);;/q;+1;-1/b8-6+,11-10+;;/t14-,15+,16?,17+,18-,20-,21?,22?;;/m1../s1
InChIKeySDRULXMKTFNOOQ-JMVBCIAASA-N
MW474.51 g/mol
LogP2.58
Rot. Bonds10

About sodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride

sodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride (PubChem CID 173420258) has the molecular formula C23H35F4NaO4 and a molecular weight of 474.51 g/mol. Its IUPAC name is sodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride.

Molecular Properties

Compound Namesodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride
PubChem CID173420258
Molecular FormulaC23H35F4NaO4
Molecular Weight474.51 g/mol
Exact Mass474.24
IUPAC Namesodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride
SMILESCCCCC(C)([C@H](O)/C=C/[C@@H]1[C@H]2C(F)C(/C=C/CCC(=O)O)O[C@H]2C[C@H]1C)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C23H34F4O4.Na.H/c1-4-5-12-22(3,23(25,26)27)18(28)11-10-15-14(2)13-17-20(15)21(24)16(31-17)8-6-7-9-19(29)30;;/h6,8,10-11,14-18,20-21,28H,4-5,7,9,12-13H2,1-3H3,(H,29,30);;/q;+1;-1/b8-6+,11-10+;;/t14-,15+,16?,17+,18-,20-,21?,22?;;/m1../s1
InChIKeySDRULXMKTFNOOQ-JMVBCIAASA-N
XLogP2.58
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride 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

(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid
CID 70488888
5-[(3S,3aR,4R,5R,6aR)-3-fluoro-4-[(3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
CID 57126396
methyl (E)-5-[(2R,3aR,4R,5R,6aR)-4-[(E,3R)-4,4-difluoro-3-hydroxyoct-1-enyl]-3-fluoro-5-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoate
CID 70489371
(5Z)-5-[(3aR,4R,5R,6aR)-3-fluoro-5-hydroxy-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
CID 70488412
(3R,3aS,4S,5S,6aR)-3-fluoro-5-methyl-4-[4-methyl-3-(oxan-2-yloxy)-4-(trifluoromethyl)oct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 54227241
5-[(3aR,4R)-3-fluoro-4-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid
CID 70432441
methyl 5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3S)-3-hydroxyoct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pentanoate
CID 70489642
sodium;(5Z)-5-[(3aR,4R,6aS)-3-fluoro-4-[(E,3R)-4-fluoro-3-hydroxy-4-methyloct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid;hydride
CID 173420373
methyl 5-[(3aR,4R,5R,6aS)-4-[(3R)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-3-fluoro-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate
CID 70435151
(5Z)-5-[(3R,3aR,4R,5R,6aS)-3-fluoro-5-hydroxy-4-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
CID 70434968
5-[[(1R,2S,3S,4S)-3-(3-hydroxy-4,4-dimethyloct-1-enyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy]pentanoic acid
CID 54203153
sodium (5Z)-5-[(3aR,4R,5R,6aR)-3-fluoro-4-[(E,3R)-4-fluoro-3-hydroxy-4-methyloct-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate
CID 70488574

Frequently Asked Questions

What is the IUPAC name of sodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride?
The IUPAC name of sodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride (CID 173420258) is sodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride.
What is the SMILES notation for sodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride?
The canonical SMILES for sodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride is CCCCC(C)([C@H](O)/C=C/[C@@H]1[C@H]2C(F)C(/C=C/CCC(=O)O)O[C@H]2C[C@H]1C)C(F)(F)F.[H-].[Na+].
What is the InChIKey of sodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride?
The InChIKey is SDRULXMKTFNOOQ-JMVBCIAASA-N. The full InChI is InChI=1S/C23H34F4O4.Na.H/c1-4-5-12-22(3,23(25,26)27)18(28)11-10-15-14(2)13-17-20(15)21(24)16(31-17)8-6-7-9-19(29)30;;/h6,8,10-11,14-18,20-21,28H,4-5,7,9,12-13H2,1-3H3,(H,29,30);;/q;+1;-1/b8-6+,11-10+;;/t14-,15+,16?,17+,18-,20-,21?,22?;;/m1../s1.
What are the key properties of sodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride?
sodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride has a molecular weight of 474.51 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(E)-5-[(3aR,4R,5R,6aS)-3-fluoro-4-[(E,3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pent-4-enoic acid;hydride is sourced from PubChem (CID 173420258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).