(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-[(4S)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-4',6'-dimethyl-13'-[(4R)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-(3-hydroxypropyl)-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

C76H82F3N15O24 — CID 159246518

About (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-[(4S)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-4',6'-dimethyl-13'-[(4R)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-(3-hydroxypropyl)-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-4',6'-dimethyl-13'-[(4S)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-4',6'-dimethyl-13'-[(4R)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-(3-hydroxypropyl)-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 159246518) has the molecular formula C76H82F3N15O24 and a molecular weight of 1646.57 g/mol. Its IUPAC name is (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-[(4S)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-4',6'-dimethyl-13'-[(4R)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-(3-hydroxypropyl)-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-4',6'-dimethyl-13'-[(4S)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-4',6'-dimethyl-13'-[(4R)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-(3-hydroxypropyl)-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: 159246518
• Molecular Formula: C76H82F3N15O24
• Molecular Weight: 1646.57 g/mol
• Exact Mass: 1645.56
• IUPAC Name: (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-[(4S)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-4',6'-dimethyl-13'-[(4R)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-(3-hydroxypropyl)-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)OC[C@@H]5C5CCOCC5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1.C[C@@H]1CN2c3c(cc4c(N5C(=O)OC[C@@H]5CCCO)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1.C[C@@H]1CN2c3c(cc4c(N5C(=O)OC[C@H]5C5CCOCC5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
• InChI: InChI=1S/2C26H28FN5O8.C24H26FN5O8/c2*1-11-9-31-18-14(8-26(20(31)12(2)39-11)22(33)28-24(35)29-23(26)34)7-15-19(17(18)27)40-30-21(15)32-16(10-38-25(32)36)13-3-5-37-6-4-13;1-10-8-29-16-12(7-24(18(29)11(2)37-10)20(32)26-22(34)27-21(24)33)6-14-17(15(16)25)38-28-19(14)30-13(4-3-5-31)9-36-23(30)35/h2*7,11-13,16,20H,3-6,8-10H2,1-2H3,(H2,28,29,33,34,35);6,10-11,13,18,31H,3-5,7-9H2,1-2H3,(H2,26,27,32,33,34)/t11-,12+,16+,20-;11-,12+,16-,20-;10-,11+,13+,18-/m111/s1
• InChIKey: KUTCKLFUNGSAIO-SRIDJASVSA-N
• XLogP: 4.17
• TPSA: 468.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 8
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1646.57
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-4',6'-dimethyl-13'-[(4S)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-4',6'-dimethyl-13'-[(4R)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-(3-hydroxypropyl)-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-4',6'-dimethyl-13'-[(4S)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-4',6'-dimethyl-13'-[(4R)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-(3-hydroxypropyl)-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 159246518) is (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-[(4S)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-4',6'-dimethyl-13'-[(4R)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-(3-hydroxypropyl)-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-4',6'-dimethyl-13'-[(4S)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-4',6'-dimethyl-13'-[(4R)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-(3-hydroxypropyl)-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-4',6'-dimethyl-13'-[(4S)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-4',6'-dimethyl-13'-[(4R)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-(3-hydroxypropyl)-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)OC[C@@H]5C5CCOCC5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1.C[C@@H]1CN2c3c(cc4c(N5C(=O)OC[C@@H]5CCCO)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1.C[C@@H]1CN2c3c(cc4c(N5C(=O)OC[C@H]5C5CCOCC5)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-4',6'-dimethyl-13'-[(4S)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-4',6'-dimethyl-13'-[(4R)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-(3-hydroxypropyl)-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 KUTCKLFUNGSAIO-SRIDJASVSA-N. The full InChI is InChI=1S/2C26H28FN5O8.C24H26FN5O8/c2*1-11-9-31-18-14(8-26(20(31)12(2)39-11)22(33)28-24(35)29-23(26)34)7-15-19(17(18)27)40-30-21(15)32-16(10-38-25(32)36)13-3-5-37-6-4-13;1-10-8-29-16-12(7-24(18(29)11(2)37-10)20(32)26-22(34)27-21(24)33)6-14-17(15(16)25)38-28-19(14)30-13(4-3-5-31)9-36-23(30)35/h2*7,11-13,16,20H,3-6,8-10H2,1-2H3,(H2,28,29,33,34,35);6,10-11,13,18,31H,3-5,7-9H2,1-2H3,(H2,26,27,32,33,34)/t11-,12+,16+,20-;11-,12+,16-,20-;10-,11+,13+,18-/m111/s1.

What are the key properties of (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-[(4S)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-4',6'-dimethyl-13'-[(4R)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-(3-hydroxypropyl)-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-4',6'-dimethyl-13'-[(4S)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-4',6'-dimethyl-13'-[(4R)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-(3-hydroxypropyl)-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 1646.57 g/mol, XLogP of 4.17, 8 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-[(4S)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-4',6'-dimethyl-13'-[(4R)-4-(oxan-4-yl)-2-oxo-1,3-oxazolidin-3-yl]spiro[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-(3-hydroxypropyl)-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 159246518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).