lithium;2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetic acid;methane;methyl 2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetate;hydroxide

C58H77F2LiN4O15 — CID 159347242

About lithium;2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetic acid;methane;methyl 2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetate;hydroxide

lithium;2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetic acid;methane;methyl 2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetate;hydroxide (PubChem CID 159347242) has the molecular formula C58H77F2LiN4O15 and a molecular weight of 1115.20 g/mol. Its IUPAC name is lithium;2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetic acid;methane;methyl 2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetate;hydroxide.

Molecular Properties

• Compound Name: lithium;2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetic acid;methane;methyl 2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetate;hydroxide
• PubChem CID: 159347242
• Molecular Formula: C58H77F2LiN4O15
• Molecular Weight: 1115.20 g/mol
• Exact Mass: 1114.55
• IUPAC Name: lithium;2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetic acid;methane;methyl 2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetate;hydroxide
• SMILES: C.COC(=O)C(c1cc(F)ccc1OC1CCCCO1)N1Cc2cccc(NCCCCOCCCO)c2C1=O.O=C(O)C(c1cc(F)ccc1OC1CCCCO1)N1Cc2cccc(NCCCCOCCCO)c2C1=O.[Li+].[OH-]
• InChI: InChI=1S/C29H37FN2O7.C28H35FN2O7.CH4.Li.H2O/c1-36-29(35)27(22-18-21(30)11-12-24(22)39-25-10-2-4-17-38-25)32-19-20-8-6-9-23(26(20)28(32)34)31-13-3-5-15-37-16-7-14-33;29-20-10-11-23(38-24-9-1-3-16-37-24)21(17-20)26(28(34)35)31-18-19-7-5-8-22(25(19)27(31)33)30-12-2-4-14-36-15-6-13-32;;;/h6,8-9,11-12,18,25,27,31,33H,2-5,7,10,13-17,19H2,1H3;5,7-8,10-11,17,24,26,30,32H,1-4,6,9,12-16,18H2,(H,34,35);1H4;;1H2/q;;;+1;/p-1
• InChIKey: LGWNGZQDUOVNBV-UHFFFAOYSA-M
• XLogP: 5.76
• TPSA: 254.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1115.20
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetic acid;methane;methyl 2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetate;hydroxide?

The IUPAC name of lithium;2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetic acid;methane;methyl 2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetate;hydroxide (CID 159347242) is lithium;2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetic acid;methane;methyl 2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetate;hydroxide.

What is the SMILES notation for lithium;2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetic acid;methane;methyl 2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetate;hydroxide?

The canonical SMILES for lithium;2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetic acid;methane;methyl 2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetate;hydroxide is C.COC(=O)C(c1cc(F)ccc1OC1CCCCO1)N1Cc2cccc(NCCCCOCCCO)c2C1=O.O=C(O)C(c1cc(F)ccc1OC1CCCCO1)N1Cc2cccc(NCCCCOCCCO)c2C1=O.[Li+].[OH-].

What is the InChIKey of lithium;2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetic acid;methane;methyl 2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetate;hydroxide?

The InChIKey is LGWNGZQDUOVNBV-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H37FN2O7.C28H35FN2O7.CH4.Li.H2O/c1-36-29(35)27(22-18-21(30)11-12-24(22)39-25-10-2-4-17-38-25)32-19-20-8-6-9-23(26(20)28(32)34)31-13-3-5-15-37-16-7-14-33;29-20-10-11-23(38-24-9-1-3-16-37-24)21(17-20)26(28(34)35)31-18-19-7-5-8-22(25(19)27(31)33)30-12-2-4-14-36-15-6-13-32;;;/h6,8-9,11-12,18,25,27,31,33H,2-5,7,10,13-17,19H2,1H3;5,7-8,10-11,17,24,26,30,32H,1-4,6,9,12-16,18H2,(H,34,35);1H4;;1H2/q;;;+1;/p-1.

What are the key properties of lithium;2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetic acid;methane;methyl 2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetate;hydroxide?

lithium;2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetic acid;methane;methyl 2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetate;hydroxide has a molecular weight of 1115.20 g/mol, XLogP of 5.76, 28 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetic acid;methane;methyl 2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]acetate;hydroxide is sourced from PubChem (CID 159347242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).