sodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate

C4H4NaO7Sb — CID 91886487

IUPACsodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate
SMILESO=[Sb]OC(=O)[C@H](O)[C@@H](O)C(=O)[O-].[Na+]
InChIInChI=1S/C4H6O6.Na.O.Sb/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;/q;+1;;+1/p-2/t1-,2-;;;/m1.../s1
InChIKeySHFQLHLDZDETGN-QXMMYYGRSA-L
MW308.82 g/mol
LogP-7.03
Rot. Bonds4

About sodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate

sodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate (PubChem CID 91886487) has the molecular formula C4H4NaO7Sb and a molecular weight of 308.82 g/mol. Its IUPAC name is sodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate.

Molecular Properties

Compound Namesodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate
PubChem CID91886487
Molecular FormulaC4H4NaO7Sb
Molecular Weight308.82 g/mol
Exact Mass307.89
IUPAC Namesodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate
SMILESO=[Sb]OC(=O)[C@H](O)[C@@H](O)C(=O)[O-].[Na+]
InChIInChI=1S/C4H6O6.Na.O.Sb/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;/q;+1;;+1/p-2/t1-,2-;;;/m1.../s1
InChIKeySHFQLHLDZDETGN-QXMMYYGRSA-L
XLogP-7.03
TPSA123.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 5-7.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

potassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate
CID 23707960
sodium;2,3-dihydroxy-4-oxo-4-phosphonatooxybutanoate;nickel(2+)
CID 175079698
magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 6452716
sodium;2,3-dihydroxybutanedioate;nickel(2+)
CID 159221608
CID 86636910
CID 86636910
2,3-dihydroxybutanedioate
CID 19608871
potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate
CID 174636110
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate
CID 173395440
copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate
CID 175450123

Frequently Asked Questions

What is the IUPAC name of sodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate?
The IUPAC name of sodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate (CID 91886487) is sodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate.
What is the SMILES notation for sodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate?
The canonical SMILES for sodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate is O=[Sb]OC(=O)[C@H](O)[C@@H](O)C(=O)[O-].[Na+].
What is the InChIKey of sodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate?
The InChIKey is SHFQLHLDZDETGN-QXMMYYGRSA-L. The full InChI is InChI=1S/C4H6O6.Na.O.Sb/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;/q;+1;;+1/p-2/t1-,2-;;;/m1.../s1.
What are the key properties of sodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate?
sodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate has a molecular weight of 308.82 g/mol, XLogP of -7.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate is sourced from PubChem (CID 91886487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).