[(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate

C11H12N4O7S — CID 137357718

IUPAC[(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@H]1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1
InChIInChI=1S/C11H12N4O7S/c1-23(18,19)21-4-6-3-15(11(17)22-6)7-2-12-10-9(13-7)14-8(16)5-20-10/h2,6H,3-5H2,1H3,(H,13,14,16)/t6-/m1/s1
InChIKeyJEVSTLUXUSDWLL-ZCFIWIBFSA-N
MW344.31 g/mol
LogP-0.89
Rot. Bonds4

About [(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate

[(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate (PubChem CID 137357718) has the molecular formula C11H12N4O7S and a molecular weight of 344.31 g/mol. Its IUPAC name is [(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate
PubChem CID137357718
Molecular FormulaC11H12N4O7S
Molecular Weight344.31 g/mol
Exact Mass344.04
IUPAC Name[(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@H]1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1
InChIInChI=1S/C11H12N4O7S/c1-23(18,19)21-4-6-3-15(11(17)22-6)7-2-12-10-9(13-7)14-8(16)5-20-10/h2,6H,3-5H2,1H3,(H,13,14,16)/t6-/m1/s1
InChIKeyJEVSTLUXUSDWLL-ZCFIWIBFSA-N
XLogP-0.89
TPSA137.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate?
The IUPAC name of [(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate (CID 137357718) is [(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate.
What is the SMILES notation for [(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate?
The canonical SMILES for [(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate is CS(=O)(=O)OC[C@H]1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1.
What is the InChIKey of [(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate?
The InChIKey is JEVSTLUXUSDWLL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12N4O7S/c1-23(18,19)21-4-6-3-15(11(17)22-6)7-2-12-10-9(13-7)14-8(16)5-20-10/h2,6H,3-5H2,1H3,(H,13,14,16)/t6-/m1/s1.
What are the key properties of [(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate?
[(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate has a molecular weight of 344.31 g/mol, XLogP of -0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl methanesulfonate is sourced from PubChem (CID 137357718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).