sodium;2,3,4,5,6-pentahydroxyhexanoate;stiboric acid

C6H14NaO11Sb — CID 175025201

IUPACsodium;2,3,4,5,6-pentahydroxyhexanoate;stiboric acid
SMILESO=C([O-])C(O)C(O)C(O)C(O)CO.O=[Sb](O)(O)O.[Na+]
InChIInChI=1S/C6H12O7.Na.3H2O.O.Sb/c7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;/h2-5,7-11H,1H2,(H,12,13);;3*1H2;;/q;+1;;;;;+3/p-4
InChIKeyLFWZMGWJMSUMBD-UHFFFAOYSA-J
MW406.92 g/mol
LogP-9.99
Rot. Bonds5

About sodium;2,3,4,5,6-pentahydroxyhexanoate;stiboric acid

sodium;2,3,4,5,6-pentahydroxyhexanoate;stiboric acid (PubChem CID 175025201) has the molecular formula C6H14NaO11Sb and a molecular weight of 406.92 g/mol. Its IUPAC name is sodium;2,3,4,5,6-pentahydroxyhexanoate;stiboric acid.

Molecular Properties

Compound Namesodium;2,3,4,5,6-pentahydroxyhexanoate;stiboric acid
PubChem CID175025201
Molecular FormulaC6H14NaO11Sb
Molecular Weight406.92 g/mol
Exact Mass405.95
IUPAC Namesodium;2,3,4,5,6-pentahydroxyhexanoate;stiboric acid
SMILESO=C([O-])C(O)C(O)C(O)C(O)CO.O=[Sb](O)(O)O.[Na+]
InChIInChI=1S/C6H12O7.Na.3H2O.O.Sb/c7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;/h2-5,7-11H,1H2,(H,12,13);;3*1H2;;/q;+1;;;;;+3/p-4
InChIKeyLFWZMGWJMSUMBD-UHFFFAOYSA-J
XLogP-9.99
TPSA219.04 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.92
LogP ≤ 5-9.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

disodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide
CID 174988802
sodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 87659891
sodium;iron(3+);tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 56841898
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 5460054
sodium;(2R,3R,4S,5R,6S)-2,3,4,5,6,7-hexahydroxyheptanoate;dihydrate
CID 135392401
strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 23618905
dimagnesium;tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 162352604
CID 23618074
CID 23618074
iron(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 656646
potassium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 16760467
indium(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 24815492
dizinc;tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 175791936

Frequently Asked Questions

What is the IUPAC name of sodium;2,3,4,5,6-pentahydroxyhexanoate;stiboric acid?
The IUPAC name of sodium;2,3,4,5,6-pentahydroxyhexanoate;stiboric acid (CID 175025201) is sodium;2,3,4,5,6-pentahydroxyhexanoate;stiboric acid.
What is the SMILES notation for sodium;2,3,4,5,6-pentahydroxyhexanoate;stiboric acid?
The canonical SMILES for sodium;2,3,4,5,6-pentahydroxyhexanoate;stiboric acid is O=C([O-])C(O)C(O)C(O)C(O)CO.O=[Sb](O)(O)O.[Na+].
What is the InChIKey of sodium;2,3,4,5,6-pentahydroxyhexanoate;stiboric acid?
The InChIKey is LFWZMGWJMSUMBD-UHFFFAOYSA-J. The full InChI is InChI=1S/C6H12O7.Na.3H2O.O.Sb/c7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;/h2-5,7-11H,1H2,(H,12,13);;3*1H2;;/q;+1;;;;;+3/p-4.
What are the key properties of sodium;2,3,4,5,6-pentahydroxyhexanoate;stiboric acid?
sodium;2,3,4,5,6-pentahydroxyhexanoate;stiboric acid has a molecular weight of 406.92 g/mol, XLogP of -9.99, 5 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,3,4,5,6-pentahydroxyhexanoate;stiboric acid is sourced from PubChem (CID 175025201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).