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CAS 14017-52-8 GADOLINIUM(III) PERCHLORATE molecular structure lightbox
CAS RN: 14017-52-8

GADOLINIUM(III) PERCHLORATE

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  • Product code: starshine_CAS14017-52-8
  • Purity/Analytical Methods: >99.0%
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14017-52-8 / gadolinium;perchloric acid

Standard CAS: 14017-52-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14017-52-8
Multi CAS
No
Molecular Formula
Cl3GdH3O12
Molecular Weight
458.620000
Exact Mass
457.793120
SMILES
OCl(=O)(=O)=O.OCl(=O)(=O)=O.OCl(=O)(=O)=O.[Gd]
InChI
InChI=1S/3ClHO4.Gd/c3*2-1(3,4)5;/h3*(H,2,3,4,5);
InChIKey
CLUYXRXGBINQFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
H-bond acceptors
12
H-bond donors
3
Molar refractivity
6.66
TPSA
268.23

LogP / Solubility

WLOGP
-12.37
MLOGP
-10.86
XLogP3
-12.37
Consensus LogP
-11.87
Log S (ESOL)
5.11
Class (ESOL)
Highly soluble
Log S (Ali)
5.61
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
7.63
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-14.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Oxidizer Irritant
Signal
Danger
GHS Hazard Statements
H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P220, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501

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