(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine

C12H16N2O12 — CID 139195766

IUPAC(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine
SMILESO=C(O)[C@@H](O)[C@H](O)C(=O)O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.c1cnccn1
InChIInChI=1S/C4H4N2.2C4H6O6/c1-2-6-4-3-5-1;2*5-1(3(7)8)2(6)4(9)10/h1-4H;2*1-2,5-6H,(H,7,8)(H,9,10)/t;2*1-,2-/m.10/s1
InChIKeyDPDZBRDLSVACEQ-PURMAARUSA-N
MW380.26 g/mol
LogP-3.77
Rot. Bonds6

About (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine

(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine (PubChem CID 139195766) has the molecular formula C12H16N2O12 and a molecular weight of 380.26 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine
PubChem CID139195766
Molecular FormulaC12H16N2O12
Molecular Weight380.26 g/mol
Exact Mass380.07
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine
SMILESO=C(O)[C@@H](O)[C@H](O)C(=O)O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.c1cnccn1
InChIInChI=1S/C4H4N2.2C4H6O6/c1-2-6-4-3-5-1;2*5-1(3(7)8)2(6)4(9)10/h1-4H;2*1-2,5-6H,(H,7,8)(H,9,10)/t;2*1-,2-/m.10/s1
InChIKeyDPDZBRDLSVACEQ-PURMAARUSA-N
XLogP-3.77
TPSA255.90 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.26
LogP ≤ 5-3.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R,3R)-2,3-dihydroxybutanedioic acid;pyrazine
CID 139195765
2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone
CID 162307766
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
CID 175721627
CID 175721627
CID 88745910
CID 88745910
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
copper;2,3-dihydroxybutanedioic acid;zirconium
CID 174738764

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine?
The IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine (CID 139195766) is (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine.
What is the SMILES notation for (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine?
The canonical SMILES for (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine is O=C(O)[C@@H](O)[C@H](O)C(=O)O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.c1cnccn1.
What is the InChIKey of (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine?
The InChIKey is DPDZBRDLSVACEQ-PURMAARUSA-N. The full InChI is InChI=1S/C4H4N2.2C4H6O6/c1-2-6-4-3-5-1;2*5-1(3(7)8)2(6)4(9)10/h1-4H;2*1-2,5-6H,(H,7,8)(H,9,10)/t;2*1-,2-/m.10/s1.
What are the key properties of (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine?
(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine has a molecular weight of 380.26 g/mol, XLogP of -3.77, 6 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine is sourced from PubChem (CID 139195766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).