(4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione

C16H15FO7 — CID 46882178

IUPAC(4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione
SMILESCOc1cc(O)c2c(c1)/C=C/C[C@@H](O)[C@@H](O)C(=O)/C(F)=C/OC2=O
InChIInChI=1S/C16H15FO7/c1-23-9-5-8-3-2-4-11(18)15(21)14(20)10(17)7-24-16(22)13(8)12(19)6-9/h2-3,5-7,11,15,18-19,21H,4H2,1H3/b3-2+,10-7-/t11-,15-/m1/s1
InChIKeyIMOBDMOEKOBTBM-CONFRVSISA-N
MW338.29 g/mol
LogP1.08
Rot. Bonds1

About (4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione

(4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione (PubChem CID 46882178) has the molecular formula C16H15FO7 and a molecular weight of 338.29 g/mol. Its IUPAC name is (4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione.

Molecular Properties

Compound Name(4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione
PubChem CID46882178
Molecular FormulaC16H15FO7
Molecular Weight338.29 g/mol
Exact Mass338.08
IUPAC Name(4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione
SMILESCOc1cc(O)c2c(c1)/C=C/C[C@@H](O)[C@@H](O)C(=O)/C(F)=C/OC2=O
InChIInChI=1S/C16H15FO7/c1-23-9-5-8-3-2-4-11(18)15(21)14(20)10(17)7-24-16(22)13(8)12(19)6-9/h2-3,5-7,11,15,18-19,21H,4H2,1H3/b3-2+,10-7-/t11-,15-/m1/s1
InChIKeyIMOBDMOEKOBTBM-CONFRVSISA-N
XLogP1.08
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione?
The IUPAC name of (4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione (CID 46882178) is (4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione.
What is the SMILES notation for (4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione?
The canonical SMILES for (4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione is COc1cc(O)c2c(c1)/C=C/C[C@@H](O)[C@@H](O)C(=O)/C(F)=C/OC2=O.
What is the InChIKey of (4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione?
The InChIKey is IMOBDMOEKOBTBM-CONFRVSISA-N. The full InChI is InChI=1S/C16H15FO7/c1-23-9-5-8-3-2-4-11(18)15(21)14(20)10(17)7-24-16(22)13(8)12(19)6-9/h2-3,5-7,11,15,18-19,21H,4H2,1H3/b3-2+,10-7-/t11-,15-/m1/s1.
What are the key properties of (4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione?
(4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione has a molecular weight of 338.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7R,8R,10E)-5-fluoro-7,8,16-trihydroxy-14-methoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),4,10,13,15-pentaene-2,6-dione is sourced from PubChem (CID 46882178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).