sodium;boric acid;hydride;molecular hydrogen

H21B4NaO12 — CID 174994391

IUPACsodium;boric acid;hydride;molecular hydrogen
SMILESOB(O)O.OB(O)O.OB(O)O.OB(O)O.[H-].[H][H].[H][H].[H][H].[H][H].[Na+]
InChIInChI=1S/4BH3O3.Na.4H2.H/c4*2-1(3)4;;;;;;/h4*2-4H;;4*1H;/q;;;;+1;;;;;-1
InChIKeyQNBMBFXVFHNKIY-UHFFFAOYSA-N
MW279.39 g/mol
LogP-10.11
Rot. Bonds

About sodium;boric acid;hydride;molecular hydrogen

sodium;boric acid;hydride;molecular hydrogen (PubChem CID 174994391) has the molecular formula H21B4NaO12 and a molecular weight of 279.39 g/mol. Its IUPAC name is sodium;boric acid;hydride;molecular hydrogen.

Molecular Properties

Compound Namesodium;boric acid;hydride;molecular hydrogen
PubChem CID174994391
Molecular FormulaH21B4NaO12
Molecular Weight279.39 g/mol
Exact Mass280.13
IUPAC Namesodium;boric acid;hydride;molecular hydrogen
SMILESOB(O)O.OB(O)O.OB(O)O.OB(O)O.[H-].[H][H].[H][H].[H][H].[H][H].[Na+]
InChIInChI=1S/4BH3O3.Na.4H2.H/c4*2-1(3)4;;;;;;/h4*2-4H;;4*1H;/q;;;;+1;;;;;-1
InChIKeyQNBMBFXVFHNKIY-UHFFFAOYSA-N
XLogP-10.11
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500279.39
LogP ≤ 5-10.11
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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sodium;boric acid;hydride;vanadium
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sodium;boric acid;hydride;tetrahydrate
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CID 173224246
sodium;boric acid;hydride;pentahydrate
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dilithium;sodium;boric acid;hydride;yttrium
CID 175358270
dopentacontalithium;boric acid;hydride
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boric acid
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potassium;boric acid;hydride;dihydrate
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Frequently Asked Questions

What is the IUPAC name of sodium;boric acid;hydride;molecular hydrogen?
The IUPAC name of sodium;boric acid;hydride;molecular hydrogen (CID 174994391) is sodium;boric acid;hydride;molecular hydrogen.
What is the SMILES notation for sodium;boric acid;hydride;molecular hydrogen?
The canonical SMILES for sodium;boric acid;hydride;molecular hydrogen is OB(O)O.OB(O)O.OB(O)O.OB(O)O.[H-].[H][H].[H][H].[H][H].[H][H].[Na+].
What is the InChIKey of sodium;boric acid;hydride;molecular hydrogen?
The InChIKey is QNBMBFXVFHNKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/4BH3O3.Na.4H2.H/c4*2-1(3)4;;;;;;/h4*2-4H;;4*1H;/q;;;;+1;;;;;-1.
What are the key properties of sodium;boric acid;hydride;molecular hydrogen?
sodium;boric acid;hydride;molecular hydrogen has a molecular weight of 279.39 g/mol, XLogP of -10.11, 0 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;boric acid;hydride;molecular hydrogen is sourced from PubChem (CID 174994391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).