sodium;acetic acid;boranuide

C6H16BNaO6 — CID 131724855

IUPACsodium;acetic acid;boranuide
SMILESCC(=O)O.CC(=O)O.CC(=O)O.[BH4-].[Na+]
InChIInChI=1S/3C2H4O2.BH4.Na/c3*1-2(3)4;;/h3*1H3,(H,3,4);1H4;/q;;;-1;+1
InChIKeyKHQMVOAVUABWRC-UHFFFAOYSA-N
MW217.99 g/mol
LogP-4.17
Rot. Bonds

About sodium;acetic acid;boranuide

sodium;acetic acid;boranuide (PubChem CID 131724855) has the molecular formula C6H16BNaO6 and a molecular weight of 217.99 g/mol. Its IUPAC name is sodium;acetic acid;boranuide.

Molecular Properties

Compound Namesodium;acetic acid;boranuide
PubChem CID131724855
Molecular FormulaC6H16BNaO6
Molecular Weight217.99 g/mol
Exact Mass218.09
IUPAC Namesodium;acetic acid;boranuide
SMILESCC(=O)O.CC(=O)O.CC(=O)O.[BH4-].[Na+]
InChIInChI=1S/3C2H4O2.BH4.Na/c3*1-2(3)4;;/h3*1H3,(H,3,4);1H4;/q;;;-1;+1
InChIKeyKHQMVOAVUABWRC-UHFFFAOYSA-N
XLogP-4.17
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.99
LogP ≤ 5-4.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;acetic acid;boranuide
CID 173329515
trisodium;acetic acid;hydride
CID 172996834
tricosasodium;acetic acid;hydride
CID 173423110
sodium;acetic acid;carbanide
CID 158665006
sodium;acetic acid;azanide
CID 172855434
acetic acid
CID 158444727
calcium;sodium;acetic acid;hydride
CID 173169093
sodium;acetic acid;hydride;iridium
CID 175527395
sodium;acetic acid;hydride;rubidium(1+)
CID 173203449
hexasodium;acetic acid;azane;hydride
CID 173374702
sodium;acetic acid;hydride;silane
CID 173357169
acetic acid;ethane
CID 173144363

Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;boranuide?
The IUPAC name of sodium;acetic acid;boranuide (CID 131724855) is sodium;acetic acid;boranuide.
What is the SMILES notation for sodium;acetic acid;boranuide?
The canonical SMILES for sodium;acetic acid;boranuide is CC(=O)O.CC(=O)O.CC(=O)O.[BH4-].[Na+].
What is the InChIKey of sodium;acetic acid;boranuide?
The InChIKey is KHQMVOAVUABWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H4O2.BH4.Na/c3*1-2(3)4;;/h3*1H3,(H,3,4);1H4;/q;;;-1;+1.
What are the key properties of sodium;acetic acid;boranuide?
sodium;acetic acid;boranuide has a molecular weight of 217.99 g/mol, XLogP of -4.17, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetic acid;boranuide is sourced from PubChem (CID 131724855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).