heptakis(gadolinium(3+));hydride;trichloride

H18Cl3Gd7 — CID 19933764

IUPACheptakis(gadolinium(3+));hydride;trichloride
SMILES[Cl-].[Cl-].[Cl-].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/3ClH.7Gd.18H/h3*1H;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;7*+3;18*-1/p-3
InChIKeyUPHFQGRQABKFAU-UHFFFAOYSA-K
MW1225.25 g/mol
LogP-6.96
Rot. Bonds

About heptakis(gadolinium(3+));hydride;trichloride

heptakis(gadolinium(3+));hydride;trichloride (PubChem CID 19933764) has the molecular formula H18Cl3Gd7 and a molecular weight of 1225.25 g/mol. Its IUPAC name is heptakis(gadolinium(3+));hydride;trichloride.

Molecular Properties

Compound Nameheptakis(gadolinium(3+));hydride;trichloride
PubChem CID19933764
Molecular FormulaH18Cl3Gd7
Molecular Weight1225.25 g/mol
Exact Mass1228.52
IUPAC Nameheptakis(gadolinium(3+));hydride;trichloride
SMILES[Cl-].[Cl-].[Cl-].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/3ClH.7Gd.18H/h3*1H;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;7*+3;18*-1/p-3
InChIKeyUPHFQGRQABKFAU-UHFFFAOYSA-K
XLogP-6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001225.25
LogP ≤ 5-6.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of heptakis(gadolinium(3+));hydride;trichloride?
The IUPAC name of heptakis(gadolinium(3+));hydride;trichloride (CID 19933764) is heptakis(gadolinium(3+));hydride;trichloride.
What is the SMILES notation for heptakis(gadolinium(3+));hydride;trichloride?
The canonical SMILES for heptakis(gadolinium(3+));hydride;trichloride is [Cl-].[Cl-].[Cl-].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].
What is the InChIKey of heptakis(gadolinium(3+));hydride;trichloride?
The InChIKey is UPHFQGRQABKFAU-UHFFFAOYSA-K. The full InChI is InChI=1S/3ClH.7Gd.18H/h3*1H;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;7*+3;18*-1/p-3.
What are the key properties of heptakis(gadolinium(3+));hydride;trichloride?
heptakis(gadolinium(3+));hydride;trichloride has a molecular weight of 1225.25 g/mol, XLogP of -6.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptakis(gadolinium(3+));hydride;trichloride is sourced from PubChem (CID 19933764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).