(4'R,6'S,7'S)-17'-fluoro-13'-[(4R,5R)-4-(fluoromethyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-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

C23H23F2N5O7 — CID 90284199

About (4'R,6'S,7'S)-17'-fluoro-13'-[(4R,5R)-4-(fluoromethyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-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)-17'-fluoro-13'-[(4R,5R)-4-(fluoromethyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-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 90284199) has the molecular formula C23H23F2N5O7 and a molecular weight of 519.46 g/mol. Its IUPAC name is (4'R,6'S,7'S)-17'-fluoro-13'-[(4R,5R)-4-(fluoromethyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-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)-17'-fluoro-13'-[(4R,5R)-4-(fluoromethyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-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: 90284199
• Molecular Formula: C23H23F2N5O7
• Molecular Weight: 519.46 g/mol
• Exact Mass: 519.16
• IUPAC Name: (4'R,6'S,7'S)-17'-fluoro-13'-[(4R,5R)-4-(fluoromethyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-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: C[C@@H]1CN2c3c(cc4c(N5C(=O)O[C@H](C)[C@@H]5CF)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
• InChI: InChI=1S/C23H23F2N5O7/c1-8-7-29-15-11(5-23(17(29)10(3)35-8)19(31)26-21(33)27-20(23)32)4-12-16(14(15)25)37-28-18(12)30-13(6-24)9(2)36-22(30)34/h4,8-10,13,17H,5-7H2,1-3H3,(H2,26,27,31,32,33)/t8-,9-,10+,13+,17-/m1/s1
• InChIKey: FMOMXEHQGBMACL-HEGZVTDKSA-N
• XLogP: 1.54
• TPSA: 143.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.46
LogP ≤ 5	1.54
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)-17'-fluoro-13'-[(4R,5R)-4-(fluoromethyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-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)-17'-fluoro-13'-[(4R,5R)-4-(fluoromethyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-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 90284199) is (4'R,6'S,7'S)-17'-fluoro-13'-[(4R,5R)-4-(fluoromethyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-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)-17'-fluoro-13'-[(4R,5R)-4-(fluoromethyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-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)-17'-fluoro-13'-[(4R,5R)-4-(fluoromethyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-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 C[C@@H]1CN2c3c(cc4c(N5C(=O)O[C@H](C)[C@@H]5CF)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1.

What is the InChIKey of (4'R,6'S,7'S)-17'-fluoro-13'-[(4R,5R)-4-(fluoromethyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-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 FMOMXEHQGBMACL-HEGZVTDKSA-N. The full InChI is InChI=1S/C23H23F2N5O7/c1-8-7-29-15-11(5-23(17(29)10(3)35-8)19(31)26-21(33)27-20(23)32)4-12-16(14(15)25)37-28-18(12)30-13(6-24)9(2)36-22(30)34/h4,8-10,13,17H,5-7H2,1-3H3,(H2,26,27,31,32,33)/t8-,9-,10+,13+,17-/m1/s1.

What are the key properties of (4'R,6'S,7'S)-17'-fluoro-13'-[(4R,5R)-4-(fluoromethyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-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)-17'-fluoro-13'-[(4R,5R)-4-(fluoromethyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-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 519.46 g/mol, XLogP of 1.54, 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)-17'-fluoro-13'-[(4R,5R)-4-(fluoromethyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-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 90284199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).