azane;2,3-disulfobutanedioic acid

C4H9NO10S2 — CID 88831180

IUPACazane;2,3-disulfobutanedioic acid
SMILESN.O=C(O)C(C(C(=O)O)S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C4H6O10S2.H3N/c5-3(6)1(15(9,10)11)2(4(7)8)16(12,13)14;/h1-2H,(H,5,6)(H,7,8)(H,9,10,11)(H,12,13,14);1H3
InChIKeyVEGVVRMYVSTSRC-UHFFFAOYSA-N
MW295.25 g/mol
LogP-2.17
Rot. Bonds5

About azane;2,3-disulfobutanedioic acid

azane;2,3-disulfobutanedioic acid (PubChem CID 88831180) has the molecular formula C4H9NO10S2 and a molecular weight of 295.25 g/mol. Its IUPAC name is azane;2,3-disulfobutanedioic acid.

Molecular Properties

Compound Nameazane;2,3-disulfobutanedioic acid
PubChem CID88831180
Molecular FormulaC4H9NO10S2
Molecular Weight295.25 g/mol
Exact Mass294.97
IUPAC Nameazane;2,3-disulfobutanedioic acid
SMILESN.O=C(O)C(C(C(=O)O)S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C4H6O10S2.H3N/c5-3(6)1(15(9,10)11)2(4(7)8)16(12,13)14;/h1-2H,(H,5,6)(H,7,8)(H,9,10,11)(H,12,13,14);1H3
InChIKeyVEGVVRMYVSTSRC-UHFFFAOYSA-N
XLogP-2.17
TPSA218.34 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 5-2.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

tris(2,3-disulfobutanedioic acid);zinc
CID 155678413
magnesium;2,3-disulfobutanedioic acid;hydride
CID 175074366
2-methylpropanoic acid;sulfuric acid
CID 160710390
2-(3-methylbutyl)-3-sulfobutanedioic acid
CID 57004035
azane;carbonic acid;2,3-dihydroxybutanedioic acid;sulfuric acid
CID 173352589
2-methylidene-3-sulfobutanedioic acid
CID 174404330
barium(2+);2-sulfopropanoic acid
CID 54607271
calcium;hydride;2-hydroxy-2-sulfoacetic acid
CID 174453364
strontium;hydride;2-hydroxy-2-sulfoacetic acid
CID 174524960
4-ethylperoxy-3-hydroxy-4-oxo-2-sulfobutanoic acid
CID 173453073
potassium;2-hexadecyl-3-sulfobutanedioic acid;hydride
CID 175203485
2-amino-3,3-disulfopropanoic acid
CID 175428121

Frequently Asked Questions

What is the IUPAC name of azane;2,3-disulfobutanedioic acid?
The IUPAC name of azane;2,3-disulfobutanedioic acid (CID 88831180) is azane;2,3-disulfobutanedioic acid.
What is the SMILES notation for azane;2,3-disulfobutanedioic acid?
The canonical SMILES for azane;2,3-disulfobutanedioic acid is N.O=C(O)C(C(C(=O)O)S(=O)(=O)O)S(=O)(=O)O.
What is the InChIKey of azane;2,3-disulfobutanedioic acid?
The InChIKey is VEGVVRMYVSTSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O10S2.H3N/c5-3(6)1(15(9,10)11)2(4(7)8)16(12,13)14;/h1-2H,(H,5,6)(H,7,8)(H,9,10,11)(H,12,13,14);1H3.
What are the key properties of azane;2,3-disulfobutanedioic acid?
azane;2,3-disulfobutanedioic acid has a molecular weight of 295.25 g/mol, XLogP of -2.17, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3-disulfobutanedioic acid is sourced from PubChem (CID 88831180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).