[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-methylidene-λ5-phosphanyl] [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen phosphate

C35H32F2N12O10P2 — CID 130465186

About [[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-methylidene-λ5-phosphanyl] [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen phosphate

[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-methylidene-λ5-phosphanyl] [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen phosphate (PubChem CID 130465186) has the molecular formula C35H32F2N12O10P2 and a molecular weight of 880.66 g/mol. Its IUPAC name is [[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-methylidene-λ5-phosphanyl] [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen phosphate.

Molecular Properties

• Compound Name: [[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-methylidene-λ5-phosphanyl] [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen phosphate
• PubChem CID: 130465186
• Molecular Formula: C35H32F2N12O10P2
• Molecular Weight: 880.66 g/mol
• Exact Mass: 880.18
• IUPAC Name: [[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-methylidene-λ5-phosphanyl] [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen phosphate
• SMILES: C=P(O)(OC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1)OP(=O)(O)OC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C35H32F2N12O10P2/c1-46-42-32(40-44-46)30-10-4-20(14-38-30)26-8-6-22(12-28(26)36)48-16-24(57-34(48)50)18-55-60(3,52)59-61(53,54)56-19-25-17-49(35(51)58-25)23-7-9-27(29(37)13-23)21-5-11-31(39-15-21)33-41-45-47(2)43-33/h4-15,24-25,52H,3,16-19H2,1-2H3,(H,53,54)/t24-,25-,60?/m1/s1
• InChIKey: KDVIGBSDYDUEHU-SNNKASHZSA-N
• XLogP: 4.16
• TPSA: 257.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.66
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-methylidene-λ5-phosphanyl] [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen phosphate?

The IUPAC name of [[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-methylidene-λ5-phosphanyl] [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen phosphate (CID 130465186) is [[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-methylidene-λ5-phosphanyl] [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen phosphate.

What is the SMILES notation for [[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-methylidene-λ5-phosphanyl] [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen phosphate?

The canonical SMILES for [[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-methylidene-λ5-phosphanyl] [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen phosphate is C=P(O)(OC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1)OP(=O)(O)OC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1.

What is the InChIKey of [[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-methylidene-λ5-phosphanyl] [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen phosphate?

The InChIKey is KDVIGBSDYDUEHU-SNNKASHZSA-N. The full InChI is InChI=1S/C35H32F2N12O10P2/c1-46-42-32(40-44-46)30-10-4-20(14-38-30)26-8-6-22(12-28(26)36)48-16-24(57-34(48)50)18-55-60(3,52)59-61(53,54)56-19-25-17-49(35(51)58-25)23-7-9-27(29(37)13-23)21-5-11-31(39-15-21)33-41-45-47(2)43-33/h4-15,24-25,52H,3,16-19H2,1-2H3,(H,53,54)/t24-,25-,60?/m1/s1.

What are the key properties of [[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-methylidene-λ5-phosphanyl] [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen phosphate?

[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-methylidene-λ5-phosphanyl] [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen phosphate has a molecular weight of 880.66 g/mol, XLogP of 4.16, 14 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-hydroxy-methylidene-λ5-phosphanyl] [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl hydrogen phosphate is sourced from PubChem (CID 130465186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).