[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium

C16H17FN2O7PS+ — CID 90254287

IUPAC[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium
SMILESC[C@]1(O)[C@H](n2ccc(=O)[nH]c2=O)O[C@](F)(CO[P+](=S)Oc2ccccc2)[C@H]1O
InChIInChI=1S/C16H16FN2O7PS/c1-15(23)12(21)16(17,9-24-27(28)26-10-5-3-2-4-6-10)25-13(15)19-8-7-11(20)18-14(19)22/h2-8,12-13,21,23H,9H2,1H3/p+1/t12-,13+,15+,16+/m0/s1
InChIKeyMXPPCCWLCYLDKL-SJXGUFTOSA-O
MW431.36 g/mol
LogP0.71
Rot. Bonds6

About [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium

[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium (PubChem CID 90254287) has the molecular formula C16H17FN2O7PS+ and a molecular weight of 431.36 g/mol. Its IUPAC name is [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium.

Molecular Properties

Compound Name[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium
PubChem CID90254287
Molecular FormulaC16H17FN2O7PS+
Molecular Weight431.36 g/mol
Exact Mass431.05
IUPAC Name[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium
SMILESC[C@]1(O)[C@H](n2ccc(=O)[nH]c2=O)O[C@](F)(CO[P+](=S)Oc2ccccc2)[C@H]1O
InChIInChI=1S/C16H16FN2O7PS/c1-15(23)12(21)16(17,9-24-27(28)26-10-5-3-2-4-6-10)25-13(15)19-8-7-11(20)18-14(19)22/h2-8,12-13,21,23H,9H2,1H3/p+1/t12-,13+,15+,16+/m0/s1
InChIKeyMXPPCCWLCYLDKL-SJXGUFTOSA-O
XLogP0.71
TPSA123.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium 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 [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium?
The IUPAC name of [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium (CID 90254287) is [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium.
What is the SMILES notation for [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium?
The canonical SMILES for [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium is C[C@]1(O)[C@H](n2ccc(=O)[nH]c2=O)O[C@](F)(CO[P+](=S)Oc2ccccc2)[C@H]1O.
What is the InChIKey of [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium?
The InChIKey is MXPPCCWLCYLDKL-SJXGUFTOSA-O. The full InChI is InChI=1S/C16H16FN2O7PS/c1-15(23)12(21)16(17,9-24-27(28)26-10-5-3-2-4-6-10)25-13(15)19-8-7-11(20)18-14(19)22/h2-8,12-13,21,23H,9H2,1H3/p+1/t12-,13+,15+,16+/m0/s1.
What are the key properties of [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium?
[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium has a molecular weight of 431.36 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxy-sulfanylidenephosphanium is sourced from PubChem (CID 90254287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).