(2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate

C8H22N2O9 — CID 169452292

IUPAC(2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate
SMILESO.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[NH3+]CCO.[NH3+]CCO
InChIInChI=1S/C4H6O6.2C2H7NO.H2O/c5-1(3(7)8)2(6)4(9)10;2*3-1-2-4;/h1-2,5-6H,(H,7,8)(H,9,10);2*4H,1-3H2;1H2/t1-,2-;;;/m1.../s1
InChIKeyNYBGEOXPJWPSNA-QXMMYYGRSA-N
MW290.27 g/mol
LogP-9.18
Rot. Bonds5

About (2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate

(2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate (PubChem CID 169452292) has the molecular formula C8H22N2O9 and a molecular weight of 290.27 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate
PubChem CID169452292
Molecular FormulaC8H22N2O9
Molecular Weight290.27 g/mol
Exact Mass290.13
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate
SMILESO.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[NH3+]CCO.[NH3+]CCO
InChIInChI=1S/C4H6O6.2C2H7NO.H2O/c5-1(3(7)8)2(6)4(9)10;2*3-1-2-4;/h1-2,5-6H,(H,7,8)(H,9,10);2*4H,1-3H2;1H2/t1-,2-;;;/m1.../s1
InChIKeyNYBGEOXPJWPSNA-QXMMYYGRSA-N
XLogP-9.18
TPSA247.96 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.27
LogP ≤ 5-9.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate
CID 173203823
copper;2,3-dihydroxybutanedioate;tetrahydrate
CID 159915205
dicalcium;bis(2,3-dihydroxybutanedioate);tetrahydrate
CID 159194146
copper(1+);2,3-dihydroxybutanedioate;hydrate
CID 22034457
calcium;2,3-dihydroxybutanedioate;hydrate
CID 161409159
2,3-dihydroxybutanedioate
CID 19608871
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
butylazanium;(2S,3S)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate;hydrate
CID 139045335
magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 6452716
calcium;carbonic acid;2,3-dihydroxybutanedioate
CID 158616443

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate?
The IUPAC name of (2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate (CID 169452292) is (2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate.
What is the SMILES notation for (2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate?
The canonical SMILES for (2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate is O.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[NH3+]CCO.[NH3+]CCO.
What is the InChIKey of (2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate?
The InChIKey is NYBGEOXPJWPSNA-QXMMYYGRSA-N. The full InChI is InChI=1S/C4H6O6.2C2H7NO.H2O/c5-1(3(7)8)2(6)4(9)10;2*3-1-2-4;/h1-2,5-6H,(H,7,8)(H,9,10);2*4H,1-3H2;1H2/t1-,2-;;;/m1.../s1.
What are the key properties of (2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate?
(2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate has a molecular weight of 290.27 g/mol, XLogP of -9.18, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxybutanedioate;bis(2-hydroxyethylazanium);hydrate is sourced from PubChem (CID 169452292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).