disodium;(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate

C32H31F2N18Na2O9P — CID 161018960

About disodium;(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate

disodium;(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate (PubChem CID 161018960) has the molecular formula C32H31F2N18Na2O9P and a molecular weight of 926.67 g/mol. Its IUPAC name is disodium;(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate.

Molecular Properties

• Compound Name: disodium;(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate
• PubChem CID: 161018960
• Molecular Formula: C32H31F2N18Na2O9P
• Molecular Weight: 926.67 g/mol
• Exact Mass: 926.20
• IUPAC Name: disodium;(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate
• SMILES: Cn1nnc(N2Cc3nn(-c4ccc(N5C[C@H](CO)OC5=O)cc4F)nc3C2)n1.Cn1nnc(N2Cc3nn(-c4ccc(N5C[C@H](COP(=O)([O-])[O-])OC5=O)cc4F)nc3C2)n1.[Na+].[Na+]
• InChI: InChI=1S/C16H17FN9O6P.C16H16FN9O3.2Na/c1-23-21-15(18-22-23)24-6-12-13(7-24)20-26(19-12)14-3-2-9(4-11(14)17)25-5-10(32-16(25)27)8-31-33(28,29)30;1-23-21-15(18-22-23)24-6-12-13(7-24)20-26(19-12)14-3-2-9(4-11(14)17)25-5-10(8-27)29-16(25)28;;/h2-4,10H,5-8H2,1H3,(H2,28,29,30);2-4,10,27H,5-8H2,1H3;;/q;;2*+1/p-2/t2*10-;;/m11../s1
• InChIKey: TYCIXSYMRQAQPZ-CFQPJNDNSA-L
• XLogP: -7.60
• TPSA: 306.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.67
LogP ≤ 5	-7.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of disodium;(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate?

The IUPAC name of disodium;(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate (CID 161018960) is disodium;(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate.

What is the SMILES notation for disodium;(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate?

The canonical SMILES for disodium;(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate is Cn1nnc(N2Cc3nn(-c4ccc(N5C[C@H](CO)OC5=O)cc4F)nc3C2)n1.Cn1nnc(N2Cc3nn(-c4ccc(N5C[C@H](COP(=O)([O-])[O-])OC5=O)cc4F)nc3C2)n1.[Na+].[Na+].

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

The InChIKey is TYCIXSYMRQAQPZ-CFQPJNDNSA-L. The full InChI is InChI=1S/C16H17FN9O6P.C16H16FN9O3.2Na/c1-23-21-15(18-22-23)24-6-12-13(7-24)20-26(19-12)14-3-2-9(4-11(14)17)25-5-10(32-16(25)27)8-31-33(28,29)30;1-23-21-15(18-22-23)24-6-12-13(7-24)20-26(19-12)14-3-2-9(4-11(14)17)25-5-10(8-27)29-16(25)28;;/h2-4,10H,5-8H2,1H3,(H2,28,29,30);2-4,10,27H,5-8H2,1H3;;/q;;2*+1/p-2/t2*10-;;/m11../s1.

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

disodium;(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate has a molecular weight of 926.67 g/mol, XLogP of -7.60, 10 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-[3-fluoro-4-[5-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]triazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate is sourced from PubChem (CID 161018960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).