CAS RN: 52788-53-1
GADOLINIUM NITRATE, PENTAHYDRATE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS52788-53-1
- Purity/Analytical Methods: >99.0%
52788-53-1 / gadolinium(3+);trinitrate;pentahydrate
Basic Information
CAS
52788-53-1
Multi CAS
Yes
Molecular Formula
GdH10N3O14
Molecular Weight
433.340000
Exact Mass
433.940390
InChI
InChI=1S/Gd.3NO3.5H2O/c;3*2-1(3)4;;;;;/h;;;;5*1H2/q+3;3*-1;;;;;
InChIKey
BNMYHHKLYAXIKP-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid; [Merck Index] Fine colorless crystals
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
18
H-bond acceptors
9
H-bond donors
5
Molar refractivity
49.15
TPSA
356.1
LogP / Solubility
WLOGP
-4.84
MLOGP
-4.23
XLogP3
-4.84
Consensus LogP
-4.64
Log S (ESOL)
0.52
Class (ESOL)
Highly soluble
Log S (Ali)
0.38
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.54
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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