tetraborate;pentahydrate

H10B4O17-12 — CID 18463322

IUPACtetraborate;pentahydrate
SMILESO.O.O.O.O.[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/4BO3.5H2O/c4*2-1(3)4;;;;;/h;;;;5*1H2/q4*-3;;;;;
InChIKeyBFTZNUJYDLXONH-UHFFFAOYSA-N
MW325.31 g/mol
LogP-19.91
Rot. Bonds

About tetraborate;pentahydrate

tetraborate;pentahydrate (PubChem CID 18463322) has the molecular formula H10B4O17-12 and a molecular weight of 325.31 g/mol. Its IUPAC name is tetraborate;pentahydrate.

Molecular Properties

Compound Nametetraborate;pentahydrate
PubChem CID18463322
Molecular FormulaH10B4O17-12
Molecular Weight325.31 g/mol
Exact Mass326.04
IUPAC Nametetraborate;pentahydrate
SMILESO.O.O.O.O.[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/4BO3.5H2O/c4*2-1(3)4;;;;;/h;;;;5*1H2/q4*-3;;;;;
InChIKeyBFTZNUJYDLXONH-UHFFFAOYSA-N
XLogP-19.91
TPSA434.22 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.31
LogP ≤ 5-19.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

pentaazanium;pentaborate;octahydrate
CID 57347063
trisodium;borate;trihydrate
CID 141011813
dodecasodium;tetraborate;decahydrate
CID 86618040
tris(barium(2+));diborate;dihydrate
CID 157172386
magnesium;sodium;borate;hydrate
CID 173077041
calcium;lanthanum(3+);borate;hydrate
CID 172832291
dibismuth diborate
CID 159089298
trisulfanium;borate
CID 22561123
dialuminum diborate
CID 22359065
tetrakis(ytterbium(3+));tetraborate
CID 158376786
hexamagnesium;tetraborate
CID 19981642
aluminum;barium(2+);hydride;borate;hydrate
CID 174337827

Frequently Asked Questions

What is the IUPAC name of tetraborate;pentahydrate?
The IUPAC name of tetraborate;pentahydrate (CID 18463322) is tetraborate;pentahydrate.
What is the SMILES notation for tetraborate;pentahydrate?
The canonical SMILES for tetraborate;pentahydrate is O.O.O.O.O.[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].
What is the InChIKey of tetraborate;pentahydrate?
The InChIKey is BFTZNUJYDLXONH-UHFFFAOYSA-N. The full InChI is InChI=1S/4BO3.5H2O/c4*2-1(3)4;;;;;/h;;;;5*1H2/q4*-3;;;;;.
What are the key properties of tetraborate;pentahydrate?
tetraborate;pentahydrate has a molecular weight of 325.31 g/mol, XLogP of -19.91, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetraborate;pentahydrate is sourced from PubChem (CID 18463322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).