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

C34H29F2N12O8P — CID 59477107

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

bis[[(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 59477107) has the molecular formula C34H29F2N12O8P and a molecular weight of 802.65 g/mol. Its IUPAC name is bis[[(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: bis[[(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: 59477107
• Molecular Formula: C34H29F2N12O8P
• Molecular Weight: 802.65 g/mol
• Exact Mass: 802.19
• IUPAC Name: bis[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl] hydrogen phosphate
• SMILES: Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(O)OC[C@H]5CN(c6ccc(-c7ccc(-c8nnn(C)n8)nc7)c(F)c6)C(=O)O5)OC4=O)cc3F)cn2)n1
• InChI: InChI=1S/C34H29F2N12O8P/c1-45-41-31(39-43-45)29-9-3-19(13-37-29)25-7-5-21(11-27(25)35)47-15-23(55-33(47)49)17-53-57(51,52)54-18-24-16-48(34(50)56-24)22-6-8-26(28(36)12-22)20-4-10-30(38-14-20)32-40-44-46(2)42-32/h3-14,23-24H,15-18H2,1-2H3,(H,51,52)/t23-,24-/m1/s1
• InChIKey: UGUGELYBSIMIPH-DNQXCXABSA-N
• XLogP: 3.95
• TPSA: 227.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.65
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[[(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 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) is bis[[(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 bis[[(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 bis[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl] hydrogen phosphate is Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(O)OC[C@H]5CN(c6ccc(-c7ccc(-c8nnn(C)n8)nc7)c(F)c6)C(=O)O5)OC4=O)cc3F)cn2)n1.

What is the InChIKey of bis[[(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 UGUGELYBSIMIPH-DNQXCXABSA-N. The full InChI is InChI=1S/C34H29F2N12O8P/c1-45-41-31(39-43-45)29-9-3-19(13-37-29)25-7-5-21(11-27(25)35)47-15-23(55-33(47)49)17-53-57(51,52)54-18-24-16-48(34(50)56-24)22-6-8-26(28(36)12-22)20-4-10-30(38-14-20)32-40-44-46(2)42-32/h3-14,23-24H,15-18H2,1-2H3,(H,51,52)/t23-,24-/m1/s1.

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

bis[[(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 802.65 g/mol, XLogP of 3.95, 12 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis[[(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 59477107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).