tricalcium;distiborate;hydrate

H2Ca3O9Sb2 — CID 173448459

IUPACtricalcium;distiborate;hydrate
SMILESO.O=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2]
InChIInChI=1S/3Ca.H2O.8O.2Sb/h;;;1H2;;;;;;;;;;/q3*+2;;;;6*-1;;
InChIKeyRSGUFTHPPFFJOB-UHFFFAOYSA-N
MW509.76 g/mol
LogP-10.10
Rot. Bonds

About tricalcium;distiborate;hydrate

tricalcium;distiborate;hydrate (PubChem CID 173448459) has the molecular formula H2Ca3O9Sb2 and a molecular weight of 509.76 g/mol. Its IUPAC name is tricalcium;distiborate;hydrate.

Molecular Properties

Compound Nametricalcium;distiborate;hydrate
PubChem CID173448459
Molecular FormulaH2Ca3O9Sb2
Molecular Weight509.76 g/mol
Exact Mass507.67
IUPAC Nametricalcium;distiborate;hydrate
SMILESO.O=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2]
InChIInChI=1S/3Ca.H2O.8O.2Sb/h;;;1H2;;;;;;;;;;/q3*+2;;;;6*-1;;
InChIKeyRSGUFTHPPFFJOB-UHFFFAOYSA-N
XLogP-10.10
TPSA204.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.76
LogP ≤ 5-10.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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nonakis(triphenylsulfanium);hexafluoride;stiborate
CID 159735893
molybdenum;octahydrate
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CID 22051766
calcium;sulfite;dihydrate
CID 23448497
λ2-stannane;hexahydrate
CID 6095577
λ2-stannane;neodymium
CID 171039204
calcium;nitrate;hexahydrate
CID 22138076
dicalcium;tetranitrate;tetrahydrate
CID 157337195

Frequently Asked Questions

What is the IUPAC name of tricalcium;distiborate;hydrate?
The IUPAC name of tricalcium;distiborate;hydrate (CID 173448459) is tricalcium;distiborate;hydrate.
What is the SMILES notation for tricalcium;distiborate;hydrate?
The canonical SMILES for tricalcium;distiborate;hydrate is O.O=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].
What is the InChIKey of tricalcium;distiborate;hydrate?
The InChIKey is RSGUFTHPPFFJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/3Ca.H2O.8O.2Sb/h;;;1H2;;;;;;;;;;/q3*+2;;;;6*-1;;.
What are the key properties of tricalcium;distiborate;hydrate?
tricalcium;distiborate;hydrate has a molecular weight of 509.76 g/mol, XLogP of -10.10, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tricalcium;distiborate;hydrate is sourced from PubChem (CID 173448459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).