[(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate

C16H22FO6P — CID 11142915

IUPAC[(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate
SMILESCCOP(OCC)O[C@@H]1C[C@H](F)[C@@H](COC(=O)c2ccccc2)O1
InChIInChI=1S/C16H22FO6P/c1-3-20-24(21-4-2)23-15-10-13(17)14(22-15)11-19-16(18)12-8-6-5-7-9-12/h5-9,13-15H,3-4,10-11H2,1-2H3/t13-,14+,15+/m0/s1
InChIKeyFAQCLYQSONMTQL-RRFJBIMHSA-N
MW360.32 g/mol
LogP3.61
Rot. Bonds9

About [(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate

[(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate (PubChem CID 11142915) has the molecular formula C16H22FO6P and a molecular weight of 360.32 g/mol. Its IUPAC name is [(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate
PubChem CID11142915
Molecular FormulaC16H22FO6P
Molecular Weight360.32 g/mol
Exact Mass360.11
IUPAC Name[(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate
SMILESCCOP(OCC)O[C@@H]1C[C@H](F)[C@@H](COC(=O)c2ccccc2)O1
InChIInChI=1S/C16H22FO6P/c1-3-20-24(21-4-2)23-15-10-13(17)14(22-15)11-19-16(18)12-8-6-5-7-9-12/h5-9,13-15H,3-4,10-11H2,1-2H3/t13-,14+,15+/m0/s1
InChIKeyFAQCLYQSONMTQL-RRFJBIMHSA-N
XLogP3.61
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate
CID 11035320
[(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate
CID 101236200
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
[(2S,3S,5R)-3-(diethoxyphosphorylmethyl)-5-ethoxyoxolan-2-yl]methyl benzoate
CID 15835070
[(2R,3R,4R,5S,6R)-4,5-dibenzoyloxy-3-fluoro-6-methyloxan-2-yl]methyl benzoate
CID 163770416
[(1R,3S,4R,6R)-6-(benzoyloxymethyl)-2,5-dioxabicyclo[2.2.0]hexan-3-yl]methyl benzoate
CID 124525264
[(2R,3R)-5-acetyloxy-3-benzoyloxyoxolan-2-yl]methyl benzoate
CID 71776144
[(2R,3S,4S,5R,6S)-3,4-dibenzoyloxy-5-bromo-6-fluorooxan-2-yl]methyl benzoate
CID 101034409
(4,5-diethoxy-3-hydroxyoxolan-2-yl)methyl benzoate
CID 59855677
[(4R,5R)-5-(benzoyloxymethyl)-2-methoxy-1,3-dioxolan-4-yl]methyl benzoate
CID 10547255
[(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate
CID 175174191
[(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
CID 59915156

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate?
The IUPAC name of [(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate (CID 11142915) is [(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate is CCOP(OCC)O[C@@H]1C[C@H](F)[C@@H](COC(=O)c2ccccc2)O1.
What is the InChIKey of [(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate?
The InChIKey is FAQCLYQSONMTQL-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H22FO6P/c1-3-20-24(21-4-2)23-15-10-13(17)14(22-15)11-19-16(18)12-8-6-5-7-9-12/h5-9,13-15H,3-4,10-11H2,1-2H3/t13-,14+,15+/m0/s1.
What are the key properties of [(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate?
[(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate has a molecular weight of 360.32 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate is sourced from PubChem (CID 11142915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).