CID 173054452

C4H7NaO6Sb — CID 173054452

IUPAC—
SMILESO=C(O)C(O)C(O)C(=O)O.[H-].[Na+].[Sb]
InChIInChI=1S/C4H6O6.Na.Sb.H/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;/q;+1;;-1
InChIKeyHWTYSHYCBMAZSQ-UHFFFAOYSA-N
MW295.84 g/mol
LogP-5.39
Rot. Bonds3

About CID 173054452

CID 173054452 (PubChem CID 173054452) has the molecular formula C4H7NaO6Sb and a molecular weight of 295.84 g/mol.

Molecular Properties

Compound NameCID 173054452
PubChem CID173054452
Molecular FormulaC4H7NaO6Sb
Molecular Weight295.84 g/mol
Exact Mass294.92
IUPAC Name—
SMILESO=C(O)C(O)C(O)C(=O)O.[H-].[Na+].[Sb]
InChIInChI=1S/C4H6O6.Na.Sb.H/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;/q;+1;;-1
InChIKeyHWTYSHYCBMAZSQ-UHFFFAOYSA-N
XLogP-5.39
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 5-5.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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lithium;potassium;2,3-dihydroxybutanedioic acid;hydride
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dilithium;2,3-dihydroxybutanedioic acid;hydride;hydrate
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barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane
CID 173390294
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
CID 88745910
CID 88745910
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
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Frequently Asked Questions

What is the IUPAC name of CID 173054452?
The IUPAC name of CID 173054452 (CID 173054452) is not available.
What is the SMILES notation for CID 173054452?
The canonical SMILES for CID 173054452 is O=C(O)C(O)C(O)C(=O)O.[H-].[Na+].[Sb].
What is the InChIKey of CID 173054452?
The InChIKey is HWTYSHYCBMAZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.Na.Sb.H/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;/q;+1;;-1.
What are the key properties of CID 173054452?
CID 173054452 has a molecular weight of 295.84 g/mol, XLogP of -5.39, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173054452 is sourced from PubChem (CID 173054452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).