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

C8H10N2O6 — CID 139195765

IUPAC(2R,3R)-2,3-dihydroxybutanedioic acid;pyrazine
SMILESO=C(O)[C@H](O)[C@@H](O)C(=O)O.c1cnccn1
InChIInChI=1S/C4H4N2.C4H6O6/c1-2-6-4-3-5-1;5-1(3(7)8)2(6)4(9)10/h1-4H;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKeyODBTWMWDNAKQAT-LREBCSMRSA-N
MW230.18 g/mol
LogP-1.65
Rot. Bonds3

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

(2R,3R)-2,3-dihydroxybutanedioic acid;pyrazine (PubChem CID 139195765) has the molecular formula C8H10N2O6 and a molecular weight of 230.18 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxybutanedioic acid;pyrazine.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxybutanedioic acid;pyrazine
PubChem CID139195765
Molecular FormulaC8H10N2O6
Molecular Weight230.18 g/mol
Exact Mass230.05
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;pyrazine
SMILESO=C(O)[C@H](O)[C@@H](O)C(=O)O.c1cnccn1
InChIInChI=1S/C4H4N2.C4H6O6/c1-2-6-4-3-5-1;5-1(3(7)8)2(6)4(9)10/h1-4H;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKeyODBTWMWDNAKQAT-LREBCSMRSA-N
XLogP-1.65
TPSA140.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine
CID 139195766
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
CID 175721627
CID 175721627
CID 88745910
CID 88745910
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
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;pyrazine?
The IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;pyrazine (CID 139195765) is (2R,3R)-2,3-dihydroxybutanedioic acid;pyrazine.
What is the SMILES notation for (2R,3R)-2,3-dihydroxybutanedioic acid;pyrazine?
The canonical SMILES for (2R,3R)-2,3-dihydroxybutanedioic acid;pyrazine is O=C(O)[C@H](O)[C@@H](O)C(=O)O.c1cnccn1.
What is the InChIKey of (2R,3R)-2,3-dihydroxybutanedioic acid;pyrazine?
The InChIKey is ODBTWMWDNAKQAT-LREBCSMRSA-N. The full InChI is InChI=1S/C4H4N2.C4H6O6/c1-2-6-4-3-5-1;5-1(3(7)8)2(6)4(9)10/h1-4H;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxybutanedioic acid;pyrazine?
(2R,3R)-2,3-dihydroxybutanedioic acid;pyrazine has a molecular weight of 230.18 g/mol, XLogP of -1.65, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxybutanedioic acid;pyrazine is sourced from PubChem (CID 139195765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).