(4'R,6'S,7'S)-17'-fluoro-13'-[(4S)-4-[(1S)-1-methoxyethyl]-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

C24H26FN5O8 — CID 90292482

About (4'R,6'S,7'S)-17'-fluoro-13'-[(4S)-4-[(1S)-1-methoxyethyl]-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'-[(4S)-4-[(1S)-1-methoxyethyl]-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 90292482) has the molecular formula C24H26FN5O8 and a molecular weight of 531.50 g/mol. Its IUPAC name is (4'R,6'S,7'S)-17'-fluoro-13'-[(4S)-4-[(1S)-1-methoxyethyl]-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'-[(4S)-4-[(1S)-1-methoxyethyl]-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: 90292482
• Molecular Formula: C24H26FN5O8
• Molecular Weight: 531.50 g/mol
• Exact Mass: 531.18
• IUPAC Name: (4'R,6'S,7'S)-17'-fluoro-13'-[(4S)-4-[(1S)-1-methoxyethyl]-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: CO[C@@H](C)[C@@H]1COC(=O)N1c1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN31
• InChI: InChI=1S/C24H26FN5O8/c1-9-7-29-16-12(6-24(18(29)11(3)37-9)20(31)26-22(33)27-21(24)32)5-13-17(15(16)25)38-28-19(13)30-14(10(2)35-4)8-36-23(30)34/h5,9-11,14,18H,6-8H2,1-4H3,(H2,26,27,31,32,33)/t9-,10+,11+,14+,18-/m1/s1
• InChIKey: PZKHUMIGNWFOLM-DPFPZOFFSA-N
• XLogP: 1.22
• TPSA: 152.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.50
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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'-[(4S)-4-[(1S)-1-methoxyethyl]-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'-[(4S)-4-[(1S)-1-methoxyethyl]-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 90292482) is (4'R,6'S,7'S)-17'-fluoro-13'-[(4S)-4-[(1S)-1-methoxyethyl]-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'-[(4S)-4-[(1S)-1-methoxyethyl]-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'-[(4S)-4-[(1S)-1-methoxyethyl]-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 CO[C@@H](C)[C@@H]1COC(=O)N1c1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN31.

What is the InChIKey of (4'R,6'S,7'S)-17'-fluoro-13'-[(4S)-4-[(1S)-1-methoxyethyl]-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 PZKHUMIGNWFOLM-DPFPZOFFSA-N. The full InChI is InChI=1S/C24H26FN5O8/c1-9-7-29-16-12(6-24(18(29)11(3)37-9)20(31)26-22(33)27-21(24)32)5-13-17(15(16)25)38-28-19(13)30-14(10(2)35-4)8-36-23(30)34/h5,9-11,14,18H,6-8H2,1-4H3,(H2,26,27,31,32,33)/t9-,10+,11+,14+,18-/m1/s1.

What are the key properties of (4'R,6'S,7'S)-17'-fluoro-13'-[(4S)-4-[(1S)-1-methoxyethyl]-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'-[(4S)-4-[(1S)-1-methoxyethyl]-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 531.50 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4'R,6'S,7'S)-17'-fluoro-13'-[(4S)-4-[(1S)-1-methoxyethyl]-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 90292482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).