sodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate

C2H5B6F24NaO3-6 — CID 175034808

IUPACsodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate
SMILESCOC(=O)O.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[H-].[Na+]
InChIInChI=1S/C2H4O3.6BF4.Na.H/c1-5-2(3)4;6*2-1(3,4)5;;/h1H3,(H,3,4);;;;;;;;/q;6*-1;+1;-1
InChIKeyLWKNEHMZQLUDRR-UHFFFAOYSA-N
MW620.87 g/mol
LogP5.23
Rot. Bonds

About sodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate

sodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate (PubChem CID 175034808) has the molecular formula C2H5B6F24NaO3-6 and a molecular weight of 620.87 g/mol. Its IUPAC name is sodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate.

Molecular Properties

Compound Namesodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate
PubChem CID175034808
Molecular FormulaC2H5B6F24NaO3-6
Molecular Weight620.87 g/mol
Exact Mass622.03
IUPAC Namesodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate
SMILESCOC(=O)O.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[H-].[Na+]
InChIInChI=1S/C2H4O3.6BF4.Na.H/c1-5-2(3)4;6*2-1(3,4)5;;/h1H3,(H,3,4);;;;;;;;/q;6*-1;+1;-1
InChIKeyLWKNEHMZQLUDRR-UHFFFAOYSA-N
XLogP5.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.87
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;methyl hydrogen carbonate
CID 175554276
methyl hydrogen carbonate;propan-2-one
CID 157174234
dimethylsilane;methyl hydrogen carbonate
CID 175108197
methyl hydrogen carbonate;2,2,2-trifluoroacetic acid
CID 158638631
dichloromethane;methyl hydrogen carbonate
CID 160547489
methyl hydrogen carbonate;sulfuric acid
CID 172863213
(2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate
CID 158096678
disodium;acetate;tetrafluoroborate
CID 173374237
heptasodium;carbonoperoxoic acid;hydride
CID 173320073
acetic acid;formaldehyde;methane;methanethione;methyl hydrogen carbonate;hydrochloride
CID 158790484
2-methoxyethanol;methyl hydrogen carbonate
CID 160714037
trisodium;acetic acid;hydride
CID 172996834

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate?
The IUPAC name of sodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate (CID 175034808) is sodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate.
What is the SMILES notation for sodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate?
The canonical SMILES for sodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate is COC(=O)O.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[H-].[Na+].
What is the InChIKey of sodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate?
The InChIKey is LWKNEHMZQLUDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3.6BF4.Na.H/c1-5-2(3)4;6*2-1(3,4)5;;/h1H3,(H,3,4);;;;;;;;/q;6*-1;+1;-1.
What are the key properties of sodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate?
sodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate has a molecular weight of 620.87 g/mol, XLogP of 5.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;methyl hydrogen carbonate;hexatetrafluoroborate is sourced from PubChem (CID 175034808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).