sodium;7-[3-[(4-fluorophenyl)methyl]-2-bicyclo[3.2.2]non-2-enyl]-3,5-dihydroxyhept-6-enoic acid;hydride

C23H30FNaO4 — CID 173373928

About sodium;7-[3-[(4-fluorophenyl)methyl]-2-bicyclo[3.2.2]non-2-enyl]-3,5-dihydroxyhept-6-enoic acid;hydride

sodium;7-[3-[(4-fluorophenyl)methyl]-2-bicyclo[3.2.2]non-2-enyl]-3,5-dihydroxyhept-6-enoic acid;hydride (PubChem CID 173373928) has the molecular formula C23H30FNaO4 and a molecular weight of 412.48 g/mol. Its IUPAC name is sodium;7-[3-[(4-fluorophenyl)methyl]-2-bicyclo[3.2.2]non-2-enyl]-3,5-dihydroxyhept-6-enoic acid;hydride.

Molecular Properties

• Compound Name: sodium;7-[3-[(4-fluorophenyl)methyl]-2-bicyclo[3.2.2]non-2-enyl]-3,5-dihydroxyhept-6-enoic acid;hydride
• PubChem CID: 173373928
• Molecular Formula: C23H30FNaO4
• Molecular Weight: 412.48 g/mol
• Exact Mass: 412.20
• IUPAC Name: sodium;7-[3-[(4-fluorophenyl)methyl]-2-bicyclo[3.2.2]non-2-enyl]-3,5-dihydroxyhept-6-enoic acid;hydride
• SMILES: O=C(O)CC(O)CC(O)C=CC1=C(Cc2ccc(F)cc2)CC2CCC1CC2.[H-].[Na+]
• InChI: InChI=1S/C23H29FO4.Na.H/c24-19-7-3-16(4-8-19)12-18-11-15-1-5-17(6-2-15)22(18)10-9-20(25)13-21(26)14-23(27)28;;/h3-4,7-10,15,17,20-21,25-26H,1-2,5-6,11-14H2,(H,27,28);;/q;+1;-1
• InChIKey: HKHASDGYLKQMMB-UHFFFAOYSA-N
• XLogP: 1.13
• TPSA: 77.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.48
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of sodium;7-[3-[(4-fluorophenyl)methyl]-2-bicyclo[3.2.2]non-2-enyl]-3,5-dihydroxyhept-6-enoic acid;hydride?

The IUPAC name of sodium;7-[3-[(4-fluorophenyl)methyl]-2-bicyclo[3.2.2]non-2-enyl]-3,5-dihydroxyhept-6-enoic acid;hydride (CID 173373928) is sodium;7-[3-[(4-fluorophenyl)methyl]-2-bicyclo[3.2.2]non-2-enyl]-3,5-dihydroxyhept-6-enoic acid;hydride.

What is the SMILES notation for sodium;7-[3-[(4-fluorophenyl)methyl]-2-bicyclo[3.2.2]non-2-enyl]-3,5-dihydroxyhept-6-enoic acid;hydride?

The canonical SMILES for sodium;7-[3-[(4-fluorophenyl)methyl]-2-bicyclo[3.2.2]non-2-enyl]-3,5-dihydroxyhept-6-enoic acid;hydride is O=C(O)CC(O)CC(O)C=CC1=C(Cc2ccc(F)cc2)CC2CCC1CC2.[H-].[Na+].

What is the InChIKey of sodium;7-[3-[(4-fluorophenyl)methyl]-2-bicyclo[3.2.2]non-2-enyl]-3,5-dihydroxyhept-6-enoic acid;hydride?

The InChIKey is HKHASDGYLKQMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FO4.Na.H/c24-19-7-3-16(4-8-19)12-18-11-15-1-5-17(6-2-15)22(18)10-9-20(25)13-21(26)14-23(27)28;;/h3-4,7-10,15,17,20-21,25-26H,1-2,5-6,11-14H2,(H,27,28);;/q;+1;-1.

What are the key properties of sodium;7-[3-[(4-fluorophenyl)methyl]-2-bicyclo[3.2.2]non-2-enyl]-3,5-dihydroxyhept-6-enoic acid;hydride?

sodium;7-[3-[(4-fluorophenyl)methyl]-2-bicyclo[3.2.2]non-2-enyl]-3,5-dihydroxyhept-6-enoic acid;hydride has a molecular weight of 412.48 g/mol, XLogP of 1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;7-[3-[(4-fluorophenyl)methyl]-2-bicyclo[3.2.2]non-2-enyl]-3,5-dihydroxyhept-6-enoic acid;hydride is sourced from PubChem (CID 173373928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).