CID 23686989

C5H13NaO10Sb — CID 23686989

IUPAC—
SMILESO.O.O.O=C([O-])C(O)C(O)C(O)C(=O)O.[Na+].[Sb]
InChIInChI=1S/C5H8O7.Na.3H2O.Sb/c6-1(2(7)4(9)10)3(8)5(11)12;;;;;/h1-3,6-8H,(H,9,10)(H,11,12);;3*1H2;/q;+1;;;;/p-1
InChIKeyRSABQQZIJRXLCW-UHFFFAOYSA-M
MW377.90 g/mol
LogP-9.95
Rot. Bonds4

About CID 23686989

CID 23686989 (PubChem CID 23686989) has the molecular formula C5H13NaO10Sb and a molecular weight of 377.90 g/mol.

Molecular Properties

Compound NameCID 23686989
PubChem CID23686989
Molecular FormulaC5H13NaO10Sb
Molecular Weight377.90 g/mol
Exact Mass376.94
IUPAC Name—
SMILESO.O.O.O=C([O-])C(O)C(O)C(O)C(=O)O.[Na+].[Sb]
InChIInChI=1S/C5H8O7.Na.3H2O.Sb/c6-1(2(7)4(9)10)3(8)5(11)12;;;;;/h1-3,6-8H,(H,9,10)(H,11,12);;3*1H2;/q;+1;;;;/p-1
InChIKeyRSABQQZIJRXLCW-UHFFFAOYSA-M
XLogP-9.95
TPSA232.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 5-9.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
CID 23674495
dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate
CID 140580978
lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 140580975
sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate
CID 162037080
(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 11988282
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 5288393
sodium;2,3,4,5,6-pentahydroxyhexanoate;2,3,4,5-tetrahydroxyhexanedioic acid
CID 174890484
calcium (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 54675058
(2S,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 24755569
bis(iron(3+));tris((2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate)
CID 11377634
iron(2+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 11701673
technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate)
CID 159200130

Frequently Asked Questions

What is the IUPAC name of CID 23686989?
The IUPAC name of CID 23686989 (CID 23686989) is not available.
What is the SMILES notation for CID 23686989?
The canonical SMILES for CID 23686989 is O.O.O.O=C([O-])C(O)C(O)C(O)C(=O)O.[Na+].[Sb].
What is the InChIKey of CID 23686989?
The InChIKey is RSABQQZIJRXLCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8O7.Na.3H2O.Sb/c6-1(2(7)4(9)10)3(8)5(11)12;;;;;/h1-3,6-8H,(H,9,10)(H,11,12);;3*1H2;/q;+1;;;;/p-1.
What are the key properties of CID 23686989?
CID 23686989 has a molecular weight of 377.90 g/mol, XLogP of -9.95, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23686989 is sourced from PubChem (CID 23686989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).