(2R,3S)-2,4-dihydroxy-1-oxido-3,6-diphenyl-2,3-dihydropyrazin-1-ium-5-one

C16H14N2O4 — CID 134874656

IUPAC(2R,3S)-2,4-dihydroxy-1-oxido-3,6-diphenyl-2,3-dihydropyrazin-1-ium-5-one
SMILESO=C1C(c2ccccc2)=[N+]([O-])[C@H](O)[C@H](c2ccccc2)N1O
InChIInChI=1S/C16H14N2O4/c19-15-13(11-7-3-1-4-8-11)17(21)16(20)14(18(15)22)12-9-5-2-6-10-12/h1-10,13,15,19,21H/t13-,15+/m0/s1
InChIKeyYTHPAGOFADVJMS-DZGCQCFKSA-N
MW298.30 g/mol
LogP1.28
Rot. Bonds2

About (2R,3S)-2,4-dihydroxy-1-oxido-3,6-diphenyl-2,3-dihydropyrazin-1-ium-5-one

(2R,3S)-2,4-dihydroxy-1-oxido-3,6-diphenyl-2,3-dihydropyrazin-1-ium-5-one (PubChem CID 134874656) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (2R,3S)-2,4-dihydroxy-1-oxido-3,6-diphenyl-2,3-dihydropyrazin-1-ium-5-one.

Molecular Properties

Compound Name(2R,3S)-2,4-dihydroxy-1-oxido-3,6-diphenyl-2,3-dihydropyrazin-1-ium-5-one
PubChem CID134874656
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name(2R,3S)-2,4-dihydroxy-1-oxido-3,6-diphenyl-2,3-dihydropyrazin-1-ium-5-one
SMILESO=C1C(c2ccccc2)=[N+]([O-])[C@H](O)[C@H](c2ccccc2)N1O
InChIInChI=1S/C16H14N2O4/c19-15-13(11-7-3-1-4-8-11)17(21)16(20)14(18(15)22)12-9-5-2-6-10-12/h1-10,13,15,19,21H/t13-,15+/m0/s1
InChIKeyYTHPAGOFADVJMS-DZGCQCFKSA-N
XLogP1.28
TPSA86.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956
4,5-dihydroxy-3-oxido-2-phenyl-4,5-dihydro-1H-pyrimidin-3-ium-6-one
CID 135980875
(2S,3R,4R)-4-hydroxy-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 122155387
4,8,9,10-tetraphenyl-1,3-diazatricyclo[5.1.1.13,5]decan-6-one
CID 2829339
3-methyl-4-oxido-5-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one
CID 15372192
(3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one
CID 130977904
actinium;(2R,5S)-3-hydroxy-2,5-diphenylimidazolidin-4-one
CID 59884183
(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one
CID 122372873
2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione
CID 11328819
(3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one
CID 135016631
(3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one
CID 124503328
(3S,4R)-4-hydroxy-2,3-diphenyl-3,4-dihydroisoquinolin-1-one
CID 12694467

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,4-dihydroxy-1-oxido-3,6-diphenyl-2,3-dihydropyrazin-1-ium-5-one?
The IUPAC name of (2R,3S)-2,4-dihydroxy-1-oxido-3,6-diphenyl-2,3-dihydropyrazin-1-ium-5-one (CID 134874656) is (2R,3S)-2,4-dihydroxy-1-oxido-3,6-diphenyl-2,3-dihydropyrazin-1-ium-5-one.
What is the SMILES notation for (2R,3S)-2,4-dihydroxy-1-oxido-3,6-diphenyl-2,3-dihydropyrazin-1-ium-5-one?
The canonical SMILES for (2R,3S)-2,4-dihydroxy-1-oxido-3,6-diphenyl-2,3-dihydropyrazin-1-ium-5-one is O=C1C(c2ccccc2)=[N+]([O-])[C@H](O)[C@H](c2ccccc2)N1O.
What is the InChIKey of (2R,3S)-2,4-dihydroxy-1-oxido-3,6-diphenyl-2,3-dihydropyrazin-1-ium-5-one?
The InChIKey is YTHPAGOFADVJMS-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-15-13(11-7-3-1-4-8-11)17(21)16(20)14(18(15)22)12-9-5-2-6-10-12/h1-10,13,15,19,21H/t13-,15+/m0/s1.
What are the key properties of (2R,3S)-2,4-dihydroxy-1-oxido-3,6-diphenyl-2,3-dihydropyrazin-1-ium-5-one?
(2R,3S)-2,4-dihydroxy-1-oxido-3,6-diphenyl-2,3-dihydropyrazin-1-ium-5-one has a molecular weight of 298.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,4-dihydroxy-1-oxido-3,6-diphenyl-2,3-dihydropyrazin-1-ium-5-one is sourced from PubChem (CID 134874656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).