azanium 2,3,4-trihydroxy-4-oxobutanoate

C4H9NO6 — CID 6432315

IUPACazanium 2,3,4-trihydroxy-4-oxobutanoate
SMILESO=C([O-])C(O)C(O)C(=O)O.[NH4+]
InChIInChI=1S/C4H6O6.H3N/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);1H3
InChIKeyZMFVLYPTTFPBNG-UHFFFAOYSA-N
MW167.12 g/mol
LogP-3.08
Rot. Bonds3

About azanium 2,3,4-trihydroxy-4-oxobutanoate

azanium 2,3,4-trihydroxy-4-oxobutanoate (PubChem CID 6432315) has the molecular formula C4H9NO6 and a molecular weight of 167.12 g/mol. Its IUPAC name is azanium 2,3,4-trihydroxy-4-oxobutanoate.

Molecular Properties

Compound Nameazanium 2,3,4-trihydroxy-4-oxobutanoate
PubChem CID6432315
Molecular FormulaC4H9NO6
Molecular Weight167.12 g/mol
Exact Mass167.04
IUPAC Nameazanium 2,3,4-trihydroxy-4-oxobutanoate
SMILESO=C([O-])C(O)C(O)C(=O)O.[NH4+]
InChIInChI=1S/C4H6O6.H3N/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);1H3
InChIKeyZMFVLYPTTFPBNG-UHFFFAOYSA-N
XLogP-3.08
TPSA154.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 5-3.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 24755569
chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)
CID 173015328
potassium;azane;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 102600774
CID 6378487
CID 6378487
methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 139045346
sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate)
CID 158452904
azanium;2,3-dihydroxybutanedioate;iron(3+)
CID 22027283
azanium;cerium(3+);2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 90475534
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

Frequently Asked Questions

What is the IUPAC name of azanium 2,3,4-trihydroxy-4-oxobutanoate?
The IUPAC name of azanium 2,3,4-trihydroxy-4-oxobutanoate (CID 6432315) is azanium 2,3,4-trihydroxy-4-oxobutanoate.
What is the SMILES notation for azanium 2,3,4-trihydroxy-4-oxobutanoate?
The canonical SMILES for azanium 2,3,4-trihydroxy-4-oxobutanoate is O=C([O-])C(O)C(O)C(=O)O.[NH4+].
What is the InChIKey of azanium 2,3,4-trihydroxy-4-oxobutanoate?
The InChIKey is ZMFVLYPTTFPBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.H3N/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);1H3.
What are the key properties of azanium 2,3,4-trihydroxy-4-oxobutanoate?
azanium 2,3,4-trihydroxy-4-oxobutanoate has a molecular weight of 167.12 g/mol, XLogP of -3.08, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2,3,4-trihydroxy-4-oxobutanoate is sourced from PubChem (CID 6432315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).