(2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline

C12H12N2O6 — CID 175728573

IUPAC(2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline
SMILESO=C(O)[C@@H](O)[C@H](O)C(=O)O.c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.C4H6O6/c1-2-4-8-7(3-1)9-5-6-10-8;5-1(3(7)8)2(6)4(9)10/h1-6H;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.0/s1
InChIKeyDKZMSQCWKJPFLT-WUUYCOTASA-N
MW280.24 g/mol
LogP-0.49
Rot. Bonds3

About (2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline

(2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline (PubChem CID 175728573) has the molecular formula C12H12N2O6 and a molecular weight of 280.24 g/mol. Its IUPAC name is (2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline.

Molecular Properties

Compound Name(2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline
PubChem CID175728573
Molecular FormulaC12H12N2O6
Molecular Weight280.24 g/mol
Exact Mass280.07
IUPAC Name(2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline
SMILESO=C(O)[C@@H](O)[C@H](O)C(=O)O.c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.C4H6O6/c1-2-4-8-7(3-1)9-5-6-10-8;5-1(3(7)8)2(6)4(9)10/h1-6H;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.0/s1
InChIKeyDKZMSQCWKJPFLT-WUUYCOTASA-N
XLogP-0.49
TPSA140.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-aminoacetic acid;quinoxaline
CID 174689994
1,1'-biphenyl;2,3-dihydroxybutanedioic acid
CID 70563433
iron;quinoxaline
CID 161047921
2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide
CID 174601902
2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol
CID 70556575
phenol;quinoxaline;hydrate
CID 174252210
CID 70250148
CID 70250148
2-hydroxy-2-quinoxalin-6-ylacetic acid
CID 117292355
2,2-dichloroacetic acid;quinoline
CID 173189076
(2R,3R)-2,3-dihydroxybutanedioic acid;pyrazine
CID 139195765
formonitrile;quinoxaline
CID 70466882
(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine
CID 139195766

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline?
The IUPAC name of (2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline (CID 175728573) is (2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline.
What is the SMILES notation for (2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline?
The canonical SMILES for (2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline is O=C(O)[C@@H](O)[C@H](O)C(=O)O.c1ccc2nccnc2c1.
What is the InChIKey of (2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline?
The InChIKey is DKZMSQCWKJPFLT-WUUYCOTASA-N. The full InChI is InChI=1S/C8H6N2.C4H6O6/c1-2-4-8-7(3-1)9-5-6-10-8;5-1(3(7)8)2(6)4(9)10/h1-6H;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.0/s1.
What are the key properties of (2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline?
(2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline has a molecular weight of 280.24 g/mol, XLogP of -0.49, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline is sourced from PubChem (CID 175728573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).