(2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione

C23H28FNO6 — CID 58304814

IUPAC(2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione
SMILESCNc1cc(O)c2c(c1)/C=C/C[C@@H]1OC(C)(C)O[C@@H]1C(=O)/C(F)=C\[C@@H](C)[C@H](C)OC2=O
InChIInChI=1S/C23H28FNO6/c1-12-9-16(24)20(27)21-18(30-23(3,4)31-21)8-6-7-14-10-15(25-5)11-17(26)19(14)22(28)29-13(12)2/h6-7,9-13,18,21,25-26H,8H2,1-5H3/b7-6+,16-9+/t12-,13+,18+,21+/m1/s1
InChIKeyAXAAVZMVVPVSRK-GZQSOHIASA-N
MW433.48 g/mol
LogP3.97
Rot. Bonds1

About (2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione

(2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione (PubChem CID 58304814) has the molecular formula C23H28FNO6 and a molecular weight of 433.48 g/mol. Its IUPAC name is (2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione.

Molecular Properties

Compound Name(2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione
PubChem CID58304814
Molecular FormulaC23H28FNO6
Molecular Weight433.48 g/mol
Exact Mass433.19
IUPAC Name(2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione
SMILESCNc1cc(O)c2c(c1)/C=C/C[C@@H]1OC(C)(C)O[C@@H]1C(=O)/C(F)=C\[C@@H](C)[C@H](C)OC2=O
InChIInChI=1S/C23H28FNO6/c1-12-9-16(24)20(27)21-18(30-23(3,4)31-21)8-6-7-14-10-15(25-5)11-17(26)19(14)22(28)29-13(12)2/h6-7,9-13,18,21,25-26H,8H2,1-5H3/b7-6+,16-9+/t12-,13+,18+,21+/m1/s1
InChIKeyAXAAVZMVVPVSRK-GZQSOHIASA-N
XLogP3.97
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

Analyze (2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione?
The IUPAC name of (2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione (CID 58304814) is (2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione.
What is the SMILES notation for (2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione?
The canonical SMILES for (2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione is CNc1cc(O)c2c(c1)/C=C/C[C@@H]1OC(C)(C)O[C@@H]1C(=O)/C(F)=C\[C@@H](C)[C@H](C)OC2=O.
What is the InChIKey of (2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione?
The InChIKey is AXAAVZMVVPVSRK-GZQSOHIASA-N. The full InChI is InChI=1S/C23H28FNO6/c1-12-9-16(24)20(27)21-18(30-23(3,4)31-21)8-6-7-14-10-15(25-5)11-17(26)19(14)22(28)29-13(12)2/h6-7,9-13,18,21,25-26H,8H2,1-5H3/b7-6+,16-9+/t12-,13+,18+,21+/m1/s1.
What are the key properties of (2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione?
(2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione has a molecular weight of 433.48 g/mol, XLogP of 3.97, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S,9S,11E,13R,14S)-11-fluoro-18-hydroxy-7,7,13,14-tetramethyl-20-(methylamino)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione is sourced from PubChem (CID 58304814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).