hydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium

C15H14F8N2O9S+2 — CID 118248665

IUPAChydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium
SMILESCc1cc(S(F)(F)(F)(F)F)cc2c1O[C@H](C(F)(F)F)C(C(=O)OC(CO[N+](=O)O)CO[N+](=O)O)=C2
InChIInChI=1S/C15H14F8N2O9S/c1-7-2-10(35(19,20,21,22)23)3-8-4-11(13(15(16,17)18)34-12(7)8)14(26)33-9(5-31-24(27)28)6-32-25(29)30/h2-4,9,13H,5-6H2,1H3,(H,27,28)(H,29,30)/q+2/t13-/m0/s1
InChIKeyLQWMNEPWOONGOR-ZDUSSCGKSA-N
MW550.33 g/mol
LogP4.47
Rot. Bonds9

About hydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium

hydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium (PubChem CID 118248665) has the molecular formula C15H14F8N2O9S+2 and a molecular weight of 550.33 g/mol. Its IUPAC name is hydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium.

Molecular Properties

Compound Namehydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium
PubChem CID118248665
Molecular FormulaC15H14F8N2O9S+2
Molecular Weight550.33 g/mol
Exact Mass550.03
IUPAC Namehydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium
SMILESCc1cc(S(F)(F)(F)(F)F)cc2c1O[C@H](C(F)(F)F)C(C(=O)OC(CO[N+](=O)O)CO[N+](=O)O)=C2
InChIInChI=1S/C15H14F8N2O9S/c1-7-2-10(35(19,20,21,22)23)3-8-4-11(13(15(16,17)18)34-12(7)8)14(26)33-9(5-31-24(27)28)6-32-25(29)30/h2-4,9,13H,5-6H2,1H3,(H,27,28)(H,29,30)/q+2/t13-/m0/s1
InChIKeyLQWMNEPWOONGOR-ZDUSSCGKSA-N
XLogP4.47
TPSA134.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.33
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze hydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium?
The IUPAC name of hydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium (CID 118248665) is hydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium.
What is the SMILES notation for hydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium?
The canonical SMILES for hydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium is Cc1cc(S(F)(F)(F)(F)F)cc2c1O[C@H](C(F)(F)F)C(C(=O)OC(CO[N+](=O)O)CO[N+](=O)O)=C2.
What is the InChIKey of hydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium?
The InChIKey is LQWMNEPWOONGOR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14F8N2O9S/c1-7-2-10(35(19,20,21,22)23)3-8-4-11(13(15(16,17)18)34-12(7)8)14(26)33-9(5-31-24(27)28)6-32-25(29)30/h2-4,9,13H,5-6H2,1H3,(H,27,28)(H,29,30)/q+2/t13-/m0/s1.
What are the key properties of hydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium?
hydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium has a molecular weight of 550.33 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-[hydroxy(oxo)azaniumyl]oxy-2-[(2S)-8-methyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carbonyl]oxypropoxy]-oxoazanium is sourced from PubChem (CID 118248665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).