Molecules/(5~{S},6~{S},8~{R},11~{S})-8-fluoranyl-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione
(5~{S},6~{S},8~{R},11~{S})-8-fluoranyl-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione
(5S,6S,8S,9Z,11S)-8-fluoro-5,6,15,17-tetrahydroxy-11-methyl-9-sulfanyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),9,14,16-tetraene-7,13-dione
Molecular Identity
(5~{S},6~{S},8~{R},11~{S})-8-fluoranyl-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione
(5S,6S,8S,9Z,11S)-8-fluoro-5,6,15,17-tetrahydroxy-11-methyl-9-sulfanyl-2,12-dioxabicyclo[12.4.0]octadeca-1(18),9,14,16-tetraene-7,13-dione
PubChem CID: 172916304
2D Structure
Properties
C17H19FO8S
Molecular Formula
402.40
Molecular Weight
g/mol
402.0785
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
135
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
10
H-Bond Acceptors
585
Complexity
SMILES
Canonical SMILES
SMILES: CC1C=C(C(C(=O)C(C(CCOC2=CC(=CC(=C2C(=O)O1)O)O)O)O)F)SIsomeric SMILES
SMILES: C[C@H]1/C=C(/[C@H](C(=O)[C@H]([C@H](CCOC2=CC(=CC(=C2C(=O)O1)O)O)O)O)F)\SSynonyms(2)
(5~{S},6~{S},8~{R},11~{S})-8-fluoranyl-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dioneWmt
Data from PubChem (NCBI)
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Molecular Structure
(5~{S},6~{S},8~{R},11~{S})-8-fluoranyl-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione
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Drug Network
Trials and conditions connected to (5~{S},6~{S},8~{R},11~{S})-8-fluoranyl-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione
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