[(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate

C18H17FN3O8P — CID 56928410

IUPAC[(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
SMILESO=C1O[C@@H](COP(=O)(O)O)CN1c1ccc(-c2ccc(N3CCOC3=O)nc2)c(F)c1
InChIInChI=1S/C18H17FN3O8P/c19-15-7-12(22-9-13(30-18(22)24)10-29-31(25,26)27)2-3-14(15)11-1-4-16(20-8-11)21-5-6-28-17(21)23/h1-4,7-8,13H,5-6,9-10H2,(H2,25,26,27)/t13-/m1/s1
InChIKeyINMCVNPXLCDXIP-CYBMUJFWSA-N
MW453.32 g/mol
LogP2.28
Rot. Bonds6

About [(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate

[(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate (PubChem CID 56928410) has the molecular formula C18H17FN3O8P and a molecular weight of 453.32 g/mol. Its IUPAC name is [(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
PubChem CID56928410
Molecular FormulaC18H17FN3O8P
Molecular Weight453.32 g/mol
Exact Mass453.07
IUPAC Name[(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
SMILESO=C1O[C@@H](COP(=O)(O)O)CN1c1ccc(-c2ccc(N3CCOC3=O)nc2)c(F)c1
InChIInChI=1S/C18H17FN3O8P/c19-15-7-12(22-9-13(30-18(22)24)10-29-31(25,26)27)2-3-14(15)11-1-4-16(20-8-11)21-5-6-28-17(21)23/h1-4,7-8,13H,5-6,9-10H2,(H2,25,26,27)/t13-/m1/s1
InChIKeyINMCVNPXLCDXIP-CYBMUJFWSA-N
XLogP2.28
TPSA138.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 56928621
[3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 67238790
[(5R)-3-[3-fluoro-4-[6-(2-methyl-1,3-dihydrotetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 118973662
CID 131886043
CID 131886043
[3-[3-fluoro-4-[6-[methyl-[N'-(methyldiazenyl)carbamimidoyl]amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 123405888
[(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 141380839
bis[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl] hydrogen phosphate
CID 59477107
[(5R)-3-[3-fluoro-4-[2-(3-methyltriazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 71541859
[3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 68545922
[(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate
CID 71030717
(5R)-3-[2,3-difluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 56928300
[(5R)-3-[3-fluoro-4-[6-(2H-triazol-4-ylamino)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid
CID 90350812

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?
The IUPAC name of [(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate (CID 56928410) is [(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?
The canonical SMILES for [(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate is O=C1O[C@@H](COP(=O)(O)O)CN1c1ccc(-c2ccc(N3CCOC3=O)nc2)c(F)c1.
What is the InChIKey of [(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?
The InChIKey is INMCVNPXLCDXIP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17FN3O8P/c19-15-7-12(22-9-13(30-18(22)24)10-29-31(25,26)27)2-3-14(15)11-1-4-16(20-8-11)21-5-6-28-17(21)23/h1-4,7-8,13H,5-6,9-10H2,(H2,25,26,27)/t13-/m1/s1.
What are the key properties of [(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?
[(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate has a molecular weight of 453.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 56928410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).