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

C34H33F2N14O9P — CID 158198705

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

(5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate (PubChem CID 158198705) has the molecular formula C34H33F2N14O9P and a molecular weight of 850.70 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate.

Molecular Properties

• Compound Name: (5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
• PubChem CID: 158198705
• Molecular Formula: C34H33F2N14O9P
• Molecular Weight: 850.70 g/mol
• Exact Mass: 850.23
• IUPAC Name: (5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
• SMILES: Cn1nnc(Nc2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1.Cn1nnc(Nc2ccc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)cn2)n1
• InChI: InChI=1S/C17H17FN7O6P.C17H16FN7O3/c1-24-22-16(21-23-24)20-15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)25-8-12(31-17(25)26)9-30-32(27,28)29;1-24-22-16(21-23-24)20-15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)25-8-12(9-26)28-17(25)27/h2-7,12H,8-9H2,1H3,(H,19,20,22)(H2,27,28,29);2-7,12,26H,8-9H2,1H3,(H,19,20,22)/t2*12-/m11/s1
• InChIKey: GAQWYKKJEHFNAJ-FUKRVRFJSA-N
• XLogP: 3.06
• TPSA: 283.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.70
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	5
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)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?

The IUPAC name of (5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate (CID 158198705) is (5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-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-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?

The canonical SMILES for (5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate is Cn1nnc(Nc2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1.Cn1nnc(Nc2ccc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)cn2)n1.

What is the InChIKey of (5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?

The InChIKey is GAQWYKKJEHFNAJ-FUKRVRFJSA-N. The full InChI is InChI=1S/C17H17FN7O6P.C17H16FN7O3/c1-24-22-16(21-23-24)20-15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)25-8-12(31-17(25)26)9-30-32(27,28)29;1-24-22-16(21-23-24)20-15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)25-8-12(9-26)28-17(25)27/h2-7,12H,8-9H2,1H3,(H,19,20,22)(H2,27,28,29);2-7,12,26H,8-9H2,1H3,(H,19,20,22)/t2*12-/m11/s1.

What are the key properties of (5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate?

(5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate has a molecular weight of 850.70 g/mol, XLogP of 3.06, 12 rotatable bonds, 5 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)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[6-[(2-methyltetrazol-5-yl)amino]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 158198705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).