boric acid;gadolinium(3+);phosphane;terbium(3+);yttrium(3+);triborate

H6B4GdO12PTbY — CID 172780157

IUPACboric acid;gadolinium(3+);phosphane;terbium(3+);yttrium(3+);triborate
SMILESOB(O)O.P.[Gd+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[Tb+3].[Y+3]
InChIInChI=1S/BH3O3.3BO3.Gd.H3P.Tb.Y/c4*2-1(3)4;;;;/h2-4H;;;;;1H3;;/q;3*-3;+3;;2*+3
InChIKeyODNDMYPTXKLCBO-UHFFFAOYSA-N
MW677.34 g/mol
LogP-13.84
Rot. Bonds

About boric acid;gadolinium(3+);phosphane;terbium(3+);yttrium(3+);triborate

boric acid;gadolinium(3+);phosphane;terbium(3+);yttrium(3+);triborate (PubChem CID 172780157) has the molecular formula H6B4GdO12PTbY and a molecular weight of 677.34 g/mol. Its IUPAC name is boric acid;gadolinium(3+);phosphane;terbium(3+);yttrium(3+);triborate.

Molecular Properties

Compound Nameboric acid;gadolinium(3+);phosphane;terbium(3+);yttrium(3+);triborate
PubChem CID172780157
Molecular FormulaH6B4GdO12PTbY
Molecular Weight677.34 g/mol
Exact Mass678.75
IUPAC Nameboric acid;gadolinium(3+);phosphane;terbium(3+);yttrium(3+);triborate
SMILESOB(O)O.P.[Gd+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[Tb+3].[Y+3]
InChIInChI=1S/BH3O3.3BO3.Gd.H3P.Tb.Y/c4*2-1(3)4;;;;/h2-4H;;;;;1H3;;/q;3*-3;+3;;2*+3
InChIKeyODNDMYPTXKLCBO-UHFFFAOYSA-N
XLogP-13.84
TPSA268.23 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.34
LogP ≤ 5-13.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of boric acid;gadolinium(3+);phosphane;terbium(3+);yttrium(3+);triborate?
The IUPAC name of boric acid;gadolinium(3+);phosphane;terbium(3+);yttrium(3+);triborate (CID 172780157) is boric acid;gadolinium(3+);phosphane;terbium(3+);yttrium(3+);triborate.
What is the SMILES notation for boric acid;gadolinium(3+);phosphane;terbium(3+);yttrium(3+);triborate?
The canonical SMILES for boric acid;gadolinium(3+);phosphane;terbium(3+);yttrium(3+);triborate is OB(O)O.P.[Gd+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[Tb+3].[Y+3].
What is the InChIKey of boric acid;gadolinium(3+);phosphane;terbium(3+);yttrium(3+);triborate?
The InChIKey is ODNDMYPTXKLCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O3.3BO3.Gd.H3P.Tb.Y/c4*2-1(3)4;;;;/h2-4H;;;;;1H3;;/q;3*-3;+3;;2*+3.
What are the key properties of boric acid;gadolinium(3+);phosphane;terbium(3+);yttrium(3+);triborate?
boric acid;gadolinium(3+);phosphane;terbium(3+);yttrium(3+);triborate has a molecular weight of 677.34 g/mol, XLogP of -13.84, 0 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;gadolinium(3+);phosphane;terbium(3+);yttrium(3+);triborate is sourced from PubChem (CID 172780157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).