[(2S,4E,9S,10S,11R)-10,14-dihydroxy-9,11,13,13-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-1-oxacyclohexadec-4-en-5-yl] hypofluorite

C26H38FNO6S — CID 58810578

About [(2S,4E,9S,10S,11R)-10,14-dihydroxy-9,11,13,13-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-1-oxacyclohexadec-4-en-5-yl] hypofluorite

[(2S,4E,9S,10S,11R)-10,14-dihydroxy-9,11,13,13-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-1-oxacyclohexadec-4-en-5-yl] hypofluorite (PubChem CID 58810578) has the molecular formula C26H38FNO6S and a molecular weight of 511.66 g/mol. Its IUPAC name is [(2S,4E,9S,10S,11R)-10,14-dihydroxy-9,11,13,13-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-1-oxacyclohexadec-4-en-5-yl] hypofluorite.

Molecular Properties

• Compound Name: [(2S,4E,9S,10S,11R)-10,14-dihydroxy-9,11,13,13-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-1-oxacyclohexadec-4-en-5-yl] hypofluorite
• PubChem CID: 58810578
• Molecular Formula: C26H38FNO6S
• Molecular Weight: 511.66 g/mol
• Exact Mass: 511.24
• IUPAC Name: [(2S,4E,9S,10S,11R)-10,14-dihydroxy-9,11,13,13-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-1-oxacyclohexadec-4-en-5-yl] hypofluorite
• SMILES: C/C(=C\c1csc(C)n1)[C@@H]1C/C=C(/OF)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)C(O)CC(=O)O1
• InChI: InChI=1S/C26H38FNO6S/c1-15-8-7-9-20(34-27)10-11-21(16(2)12-19-14-35-18(4)28-19)33-23(30)13-22(29)26(5,6)25(32)17(3)24(15)31/h10,12,14-15,17,21-22,24,29,31H,7-9,11,13H2,1-6H3/b16-12+,20-10+/t15-,17+,21-,22?,24-/m0/s1
• InChIKey: FOWUXFZCVPVVDO-GHOWZEMVSA-N
• XLogP: 5.11
• TPSA: 105.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.66
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(2S,4E,9S,10S,11R)-10,14-dihydroxy-9,11,13,13-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-1-oxacyclohexadec-4-en-5-yl] hypofluorite?

The IUPAC name of [(2S,4E,9S,10S,11R)-10,14-dihydroxy-9,11,13,13-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-1-oxacyclohexadec-4-en-5-yl] hypofluorite (CID 58810578) is [(2S,4E,9S,10S,11R)-10,14-dihydroxy-9,11,13,13-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-1-oxacyclohexadec-4-en-5-yl] hypofluorite.

What is the SMILES notation for [(2S,4E,9S,10S,11R)-10,14-dihydroxy-9,11,13,13-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-1-oxacyclohexadec-4-en-5-yl] hypofluorite?

The canonical SMILES for [(2S,4E,9S,10S,11R)-10,14-dihydroxy-9,11,13,13-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-1-oxacyclohexadec-4-en-5-yl] hypofluorite is C/C(=C\c1csc(C)n1)[C@@H]1C/C=C(/OF)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)C(O)CC(=O)O1.

What is the InChIKey of [(2S,4E,9S,10S,11R)-10,14-dihydroxy-9,11,13,13-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-1-oxacyclohexadec-4-en-5-yl] hypofluorite?

The InChIKey is FOWUXFZCVPVVDO-GHOWZEMVSA-N. The full InChI is InChI=1S/C26H38FNO6S/c1-15-8-7-9-20(34-27)10-11-21(16(2)12-19-14-35-18(4)28-19)33-23(30)13-22(29)26(5,6)25(32)17(3)24(15)31/h10,12,14-15,17,21-22,24,29,31H,7-9,11,13H2,1-6H3/b16-12+,20-10+/t15-,17+,21-,22?,24-/m0/s1.

What are the key properties of [(2S,4E,9S,10S,11R)-10,14-dihydroxy-9,11,13,13-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-1-oxacyclohexadec-4-en-5-yl] hypofluorite?

[(2S,4E,9S,10S,11R)-10,14-dihydroxy-9,11,13,13-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-1-oxacyclohexadec-4-en-5-yl] hypofluorite has a molecular weight of 511.66 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4E,9S,10S,11R)-10,14-dihydroxy-9,11,13,13-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-1-oxacyclohexadec-4-en-5-yl] hypofluorite is sourced from PubChem (CID 58810578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).