sodium;boranuide;2,3-dihydroxybutanedioic acid

C4H10BNaO6 — CID 175293038

IUPACsodium;boranuide;2,3-dihydroxybutanedioic acid
SMILESO=C(O)C(O)C(O)C(=O)O.[BH4-].[Na+]
InChIInChI=1S/C4H6O6.BH4.Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);1H4;/q;-1;+1
InChIKeyNRTXOLSIUGZBNF-UHFFFAOYSA-N
MW187.92 g/mol
LogP-6.57
Rot. Bonds3

About sodium;boranuide;2,3-dihydroxybutanedioic acid

sodium;boranuide;2,3-dihydroxybutanedioic acid (PubChem CID 175293038) has the molecular formula C4H10BNaO6 and a molecular weight of 187.92 g/mol. Its IUPAC name is sodium;boranuide;2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Namesodium;boranuide;2,3-dihydroxybutanedioic acid
PubChem CID175293038
Molecular FormulaC4H10BNaO6
Molecular Weight187.92 g/mol
Exact Mass188.05
IUPAC Namesodium;boranuide;2,3-dihydroxybutanedioic acid
SMILESO=C(O)C(O)C(O)C(=O)O.[BH4-].[Na+]
InChIInChI=1S/C4H6O6.BH4.Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);1H4;/q;-1;+1
InChIKeyNRTXOLSIUGZBNF-UHFFFAOYSA-N
XLogP-6.57
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.92
LogP ≤ 5-6.57
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

sodium;2,3-dihydroxybutanedioic acid;fluoride
CID 157387580
dipotassium;sodium;2,3-dihydroxybutanedioic acid;hydride
CID 173231446
CID 173054452
CID 173054452
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
CID 175721627
CID 175721627
CID 88745910
CID 88745910
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
copper;2,3-dihydroxybutanedioic acid;zirconium
CID 174738764

Frequently Asked Questions

What is the IUPAC name of sodium;boranuide;2,3-dihydroxybutanedioic acid?
The IUPAC name of sodium;boranuide;2,3-dihydroxybutanedioic acid (CID 175293038) is sodium;boranuide;2,3-dihydroxybutanedioic acid.
What is the SMILES notation for sodium;boranuide;2,3-dihydroxybutanedioic acid?
The canonical SMILES for sodium;boranuide;2,3-dihydroxybutanedioic acid is O=C(O)C(O)C(O)C(=O)O.[BH4-].[Na+].
What is the InChIKey of sodium;boranuide;2,3-dihydroxybutanedioic acid?
The InChIKey is NRTXOLSIUGZBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.BH4.Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);1H4;/q;-1;+1.
What are the key properties of sodium;boranuide;2,3-dihydroxybutanedioic acid?
sodium;boranuide;2,3-dihydroxybutanedioic acid has a molecular weight of 187.92 g/mol, XLogP of -6.57, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;boranuide;2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 175293038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).