(13S,15S)-9-fluoro-13-[[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-13-hydroxy-6-oxo-17-oxa-3,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid

C26H23F2N3O9 — CID 66733561

About (13S,15S)-9-fluoro-13-[[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-13-hydroxy-6-oxo-17-oxa-3,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid

(13S,15S)-9-fluoro-13-[[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-13-hydroxy-6-oxo-17-oxa-3,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid (PubChem CID 66733561) has the molecular formula C26H23F2N3O9 and a molecular weight of 559.48 g/mol. Its IUPAC name is (13S,15S)-9-fluoro-13-[[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-13-hydroxy-6-oxo-17-oxa-3,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid.

Molecular Properties

• Compound Name: (13S,15S)-9-fluoro-13-[[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-13-hydroxy-6-oxo-17-oxa-3,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid
• PubChem CID: 66733561
• Molecular Formula: C26H23F2N3O9
• Molecular Weight: 559.48 g/mol
• Exact Mass: 559.14
• IUPAC Name: (13S,15S)-9-fluoro-13-[[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-13-hydroxy-6-oxo-17-oxa-3,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid
• SMILES: O=C(O)c1c[nH]c2c3c(c(F)cc2c1=O)N1C[C@](O)(COc2ccc(N4CC(CO)OC4=O)cc2F)C[C@H]1CO3
• InChI: InChI=1S/C26H23F2N3O9/c27-17-3-12(30-7-14(8-32)40-25(30)36)1-2-19(17)39-11-26(37)5-13-9-38-23-20-15(4-18(28)21(23)31(13)10-26)22(33)16(6-29-20)24(34)35/h1-4,6,13-14,32,37H,5,7-11H2,(H,29,33)(H,34,35)/t13-,14?,26-/m0/s1
• InChIKey: UWWWHCFQTYKYNS-AFFJOGAASA-N
• XLogP: 1.60
• TPSA: 161.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.48
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (13S,15S)-9-fluoro-13-[[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-13-hydroxy-6-oxo-17-oxa-3,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid?

The IUPAC name of (13S,15S)-9-fluoro-13-[[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-13-hydroxy-6-oxo-17-oxa-3,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid (CID 66733561) is (13S,15S)-9-fluoro-13-[[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-13-hydroxy-6-oxo-17-oxa-3,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid.

What is the SMILES notation for (13S,15S)-9-fluoro-13-[[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-13-hydroxy-6-oxo-17-oxa-3,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid?

The canonical SMILES for (13S,15S)-9-fluoro-13-[[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-13-hydroxy-6-oxo-17-oxa-3,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid is O=C(O)c1c[nH]c2c3c(c(F)cc2c1=O)N1C[C@](O)(COc2ccc(N4CC(CO)OC4=O)cc2F)C[C@H]1CO3.

What is the InChIKey of (13S,15S)-9-fluoro-13-[[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-13-hydroxy-6-oxo-17-oxa-3,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid?

The InChIKey is UWWWHCFQTYKYNS-AFFJOGAASA-N. The full InChI is InChI=1S/C26H23F2N3O9/c27-17-3-12(30-7-14(8-32)40-25(30)36)1-2-19(17)39-11-26(37)5-13-9-38-23-20-15(4-18(28)21(23)31(13)10-26)22(33)16(6-29-20)24(34)35/h1-4,6,13-14,32,37H,5,7-11H2,(H,29,33)(H,34,35)/t13-,14?,26-/m0/s1.

What are the key properties of (13S,15S)-9-fluoro-13-[[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-13-hydroxy-6-oxo-17-oxa-3,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid?

(13S,15S)-9-fluoro-13-[[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-13-hydroxy-6-oxo-17-oxa-3,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid has a molecular weight of 559.48 g/mol, XLogP of 1.60, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (13S,15S)-9-fluoro-13-[[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-13-hydroxy-6-oxo-17-oxa-3,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid is sourced from PubChem (CID 66733561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).