(13S,15S)-13-[[4-[5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-3-cyclopropyl-9-fluoro-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;hydrochloride

C32H33ClF2N4O10 — CID 66733636

About (13S,15S)-13-[[4-[5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-3-cyclopropyl-9-fluoro-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;hydrochloride

(13S,15S)-13-[[4-[5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-3-cyclopropyl-9-fluoro-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;hydrochloride (PubChem CID 66733636) has the molecular formula C32H33ClF2N4O10 and a molecular weight of 707.08 g/mol. Its IUPAC name is (13S,15S)-13-[[4-[5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-3-cyclopropyl-9-fluoro-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;hydrochloride.

Molecular Properties

• Compound Name: (13S,15S)-13-[[4-[5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-3-cyclopropyl-9-fluoro-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;hydrochloride
• PubChem CID: 66733636
• Molecular Formula: C32H33ClF2N4O10
• Molecular Weight: 707.08 g/mol
• Exact Mass: 706.19
• IUPAC Name: (13S,15S)-13-[[4-[5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-3-cyclopropyl-9-fluoro-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;hydrochloride
• SMILES: CC(N)C(=O)OCC1CN(c2ccc(OC[C@]3(O)C[C@H]4COc5c(c(F)cc6c(=O)c(C(=O)O)cn(C7CC7)c56)N4C3)c(F)c2)C(=O)O1.Cl
• InChI: InChI=1S/C32H32F2N4O10.ClH/c1-15(35)30(42)46-12-19-9-37(31(43)48-19)17-4-5-24(22(33)6-17)47-14-32(44)8-18-11-45-28-25-20(7-23(34)26(28)38(18)13-32)27(39)21(29(40)41)10-36(25)16-2-3-16;/h4-7,10,15-16,18-19,44H,2-3,8-9,11-14,35H2,1H3,(H,40,41);1H/t15?,18-,19?,32-;/m0./s1
• InChIKey: DWXYYGWUTRABKL-SEORMYCFSA-N
• XLogP: 2.73
• TPSA: 183.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.08
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (13S,15S)-13-[[4-[5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-3-cyclopropyl-9-fluoro-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;hydrochloride?

The IUPAC name of (13S,15S)-13-[[4-[5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-3-cyclopropyl-9-fluoro-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;hydrochloride (CID 66733636) is (13S,15S)-13-[[4-[5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-3-cyclopropyl-9-fluoro-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;hydrochloride.

What is the SMILES notation for (13S,15S)-13-[[4-[5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-3-cyclopropyl-9-fluoro-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;hydrochloride?

The canonical SMILES for (13S,15S)-13-[[4-[5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-3-cyclopropyl-9-fluoro-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;hydrochloride is CC(N)C(=O)OCC1CN(c2ccc(OC[C@]3(O)C[C@H]4COc5c(c(F)cc6c(=O)c(C(=O)O)cn(C7CC7)c56)N4C3)c(F)c2)C(=O)O1.Cl.

What is the InChIKey of (13S,15S)-13-[[4-[5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-3-cyclopropyl-9-fluoro-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;hydrochloride?

The InChIKey is DWXYYGWUTRABKL-SEORMYCFSA-N. The full InChI is InChI=1S/C32H32F2N4O10.ClH/c1-15(35)30(42)46-12-19-9-37(31(43)48-19)17-4-5-24(22(33)6-17)47-14-32(44)8-18-11-45-28-25-20(7-23(34)26(28)38(18)13-32)27(39)21(29(40)41)10-36(25)16-2-3-16;/h4-7,10,15-16,18-19,44H,2-3,8-9,11-14,35H2,1H3,(H,40,41);1H/t15?,18-,19?,32-;/m0./s1.

What are the key properties of (13S,15S)-13-[[4-[5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-3-cyclopropyl-9-fluoro-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;hydrochloride?

(13S,15S)-13-[[4-[5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-3-cyclopropyl-9-fluoro-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;hydrochloride has a molecular weight of 707.08 g/mol, XLogP of 2.73, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (13S,15S)-13-[[4-[5-(2-aminopropanoyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-3-cyclopropyl-9-fluoro-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;hydrochloride is sourced from PubChem (CID 66733636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).