azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate

C4H10NO6Sb — CID 173395440

IUPACazanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate
SMILESO=C([O-])C(O)C(O)C(=O)O[SbH2].[NH4+]
InChIInChI=1S/C4H6O6.H3N.Sb.2H/c5-1(3(7)8)2(6)4(9)10;;;;/h1-2,5-6H,(H,7,8)(H,9,10);1H3;;;/q;;+1;;/p-1
InChIKeyRHACWNXNBBBLNW-UHFFFAOYSA-M
MW289.89 g/mol
LogP-4.07
Rot. Bonds3

About azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate

azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate (PubChem CID 173395440) has the molecular formula C4H10NO6Sb and a molecular weight of 289.89 g/mol. Its IUPAC name is azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate.

Molecular Properties

Compound Nameazanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate
PubChem CID173395440
Molecular FormulaC4H10NO6Sb
Molecular Weight289.89 g/mol
Exact Mass288.95
IUPAC Nameazanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate
SMILESO=C([O-])C(O)C(O)C(=O)O[SbH2].[NH4+]
InChIInChI=1S/C4H6O6.H3N.Sb.2H/c5-1(3(7)8)2(6)4(9)10;;;;/h1-2,5-6H,(H,7,8)(H,9,10);1H3;;;/q;;+1;;/p-1
InChIKeyRHACWNXNBBBLNW-UHFFFAOYSA-M
XLogP-4.07
TPSA143.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.89
LogP ≤ 5-4.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate 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

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
potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate
CID 174636110
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate
CID 175450123
azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride
CID 160595070
azanium 2,3,4-trihydroxy-4-oxobutanoate
CID 6432315
sodium;2,3-dihydroxybutanedioate;nickel(2+)
CID 159221608
dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate
CID 173203823

Frequently Asked Questions

What is the IUPAC name of azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate?
The IUPAC name of azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate (CID 173395440) is azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate.
What is the SMILES notation for azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate?
The canonical SMILES for azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate is O=C([O-])C(O)C(O)C(=O)O[SbH2].[NH4+].
What is the InChIKey of azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate?
The InChIKey is RHACWNXNBBBLNW-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O6.H3N.Sb.2H/c5-1(3(7)8)2(6)4(9)10;;;;/h1-2,5-6H,(H,7,8)(H,9,10);1H3;;;/q;;+1;;/p-1.
What are the key properties of azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate?
azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate has a molecular weight of 289.89 g/mol, XLogP of -4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate is sourced from PubChem (CID 173395440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).