CAS RN: 13473-77-3

Lutetium(III) sulfate hydrate

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  • Product code: starshine_CAS13473-77-3
  • Purity/Analytical Methods: >99.0%
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13473-77-3 / bis(lutetium(3+));trisulfate;hydrate

Standard CAS: 13473-77-3 Multi CAS: No

Basic Information

CAS
13473-77-3
Multi CAS
No
Molecular Formula
H2Lu2O13S3
Molecular Weight
656.100000
Exact Mass
655.747310
SMILES
O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Lu+3].[Lu+3]
InChI
InChI=1S/2Lu.3H2O4S.H2O/c;;3*1-5(2,3)4;/h;;3*(H2,1,2,3,4);1H2/q2*+3;;;;/p-6
InChIKey
BVHRLVMTECHAMB-UHFFFAOYSA-H

Computed Properties

Structural Parameters

Heavy atom count
18
H-bond acceptors
12
H-bond donors
1
Molar refractivity
35.04
TPSA
272.28

LogP / Solubility

WLOGP
-4.84
MLOGP
-4.2
XLogP3
-4.84
Consensus LogP
-4.63
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
0.09
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)
-10.16

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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