(4'R,6'S,7'S)-13'-[(5R)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione

C23H24FN5O7 — CID 90283814

About (4'R,6'S,7'S)-13'-[(5R)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione

(4'R,6'S,7'S)-13'-[(5R)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione (PubChem CID 90283814) has the molecular formula C23H24FN5O7 and a molecular weight of 501.47 g/mol. Its IUPAC name is (4'R,6'S,7'S)-13'-[(5R)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione.

Molecular Properties

• Compound Name: (4'R,6'S,7'S)-13'-[(5R)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
• PubChem CID: 90283814
• Molecular Formula: C23H24FN5O7
• Molecular Weight: 501.47 g/mol
• Exact Mass: 501.17
• IUPAC Name: (4'R,6'S,7'S)-13'-[(5R)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
• SMILES: CC[C@@H]1CN(c2noc3c(F)c4c(cc23)CC2(C(=O)NC(=O)NC2=O)[C@H]2[C@H](C)O[C@H](C)CN42)C(=O)O1
• InChI: InChI=1S/C23H24FN5O7/c1-4-12-8-29(22(33)35-12)18-13-5-11-6-23(19(30)25-21(32)26-20(23)31)17-10(3)34-9(2)7-28(17)15(11)14(24)16(13)36-27-18/h5,9-10,12,17H,4,6-8H2,1-3H3,(H2,25,26,30,31,32)/t9-,10+,12-,17-/m1/s1
• InChIKey: XTMXOGNYEBPGCW-SKCRNORWSA-N
• XLogP: 1.59
• TPSA: 143.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.47
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4'R,6'S,7'S)-13'-[(5R)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione?

The IUPAC name of (4'R,6'S,7'S)-13'-[(5R)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione (CID 90283814) is (4'R,6'S,7'S)-13'-[(5R)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione.

What is the SMILES notation for (4'R,6'S,7'S)-13'-[(5R)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione?

The canonical SMILES for (4'R,6'S,7'S)-13'-[(5R)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione is CC[C@@H]1CN(c2noc3c(F)c4c(cc23)CC2(C(=O)NC(=O)NC2=O)[C@H]2[C@H](C)O[C@H](C)CN42)C(=O)O1.

What is the InChIKey of (4'R,6'S,7'S)-13'-[(5R)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione?

The InChIKey is XTMXOGNYEBPGCW-SKCRNORWSA-N. The full InChI is InChI=1S/C23H24FN5O7/c1-4-12-8-29(22(33)35-12)18-13-5-11-6-23(19(30)25-21(32)26-20(23)31)17-10(3)34-9(2)7-28(17)15(11)14(24)16(13)36-27-18/h5,9-10,12,17H,4,6-8H2,1-3H3,(H2,25,26,30,31,32)/t9-,10+,12-,17-/m1/s1.

What are the key properties of (4'R,6'S,7'S)-13'-[(5R)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione?

(4'R,6'S,7'S)-13'-[(5R)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione has a molecular weight of 501.47 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4'R,6'S,7'S)-13'-[(5R)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione is sourced from PubChem (CID 90283814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).