(2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione

C23H27FO5 — CID 58305118

IUPAC(2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione
SMILESCc1ccc(F)c2c1C(=O)O[C@@H](C)[C@H](C)/C=C\C(=O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2
InChIInChI=1S/C23H27FO5/c1-13-10-12-18(25)21-19(28-23(4,5)29-21)8-6-7-16-17(24)11-9-14(2)20(16)22(26)27-15(13)3/h6-7,9-13,15,19,21H,8H2,1-5H3/b7-6+,12-10-/t13-,15+,19+,21-/m1/s1
InChIKeyCDDPNDKUJQISPG-UUJHHNJCSA-N
MW402.46 g/mol
LogP4.38
Rot. Bonds

About (2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione

(2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione (PubChem CID 58305118) has the molecular formula C23H27FO5 and a molecular weight of 402.46 g/mol. Its IUPAC name is (2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione.

Molecular Properties

Compound Name(2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione
PubChem CID58305118
Molecular FormulaC23H27FO5
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name(2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione
SMILESCc1ccc(F)c2c1C(=O)O[C@@H](C)[C@H](C)/C=C\C(=O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2
InChIInChI=1S/C23H27FO5/c1-13-10-12-18(25)21-19(28-23(4,5)29-21)8-6-7-16-17(24)11-9-14(2)20(16)22(26)27-15(13)3/h6-7,9-13,15,19,21H,8H2,1-5H3/b7-6+,12-10-/t13-,15+,19+,21-/m1/s1
InChIKeyCDDPNDKUJQISPG-UUJHHNJCSA-N
XLogP4.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione?
The IUPAC name of (2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione (CID 58305118) is (2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione.
What is the SMILES notation for (2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione?
The canonical SMILES for (2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione is Cc1ccc(F)c2c1C(=O)O[C@@H](C)[C@H](C)/C=C\C(=O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.
What is the InChIKey of (2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione?
The InChIKey is CDDPNDKUJQISPG-UUJHHNJCSA-N. The full InChI is InChI=1S/C23H27FO5/c1-13-10-12-18(25)21-19(28-23(4,5)29-21)8-6-7-16-17(24)11-9-14(2)20(16)22(26)27-15(13)3/h6-7,9-13,15,19,21H,8H2,1-5H3/b7-6+,12-10-/t13-,15+,19+,21-/m1/s1.
What are the key properties of (2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione?
(2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione has a molecular weight of 402.46 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S,9S,11Z,13R,14S)-21-fluoro-7,7,13,14,18-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione is sourced from PubChem (CID 58305118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).