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CAS 11120-25-5 Ammonium paratungstate molecular structure lightbox
CAS RN: 11120-25-5

Ammonium paratungstate

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  • Product code: starshine_CAS11120-25-5
  • Purity/Analytical Methods: >99.0%
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11120-25-5 / decaazanium;hexakis(dioxido(dioxo)tungsten);hydron;hexakis(trioxotungsten)

Decaammonium tungstate | AMMONIUM PARATUNGSTATE [MI] | DECAAMMONIUM TUNGSTATE ((NH4)10W12O42)

Standard CAS: 11120-25-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
11120-25-5
Multi CAS
Yes
Molecular Formula
H42N10O42W12
Molecular Weight
3060.500000
Exact Mass
3059.557700
SMILES
[H+].[H+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O
InChI
InChI=1S/2H3N.4O.W/h2*1H3;;;;;/q;;;;2*-1;/p+2
InChIKey
IZYSFFFJIOTJEV-UHFFFAOYSA-P
Synonyms
Decaammonium tungstate AMMONIUM PARATUNGSTATE [MI] DECAAMMONIUM TUNGSTATE ((NH4)10W12O42) AMMONIUM TUNGSTATE(VI) ((NH4)10H2W12O42) AMMONIUM PARATUNGSTATE, ((NH4)10H2W12O42)

Physical Properties

Physical Description
Dry Powder Solid; [Merck Index] Soluble in water
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
64
H-bond acceptors
42
H-bond donors
10
Molar refractivity
82.67
TPSA
1153.82

LogP / Solubility

WLOGP
-13.87
MLOGP
-11.87
XLogP3
-13.87
Consensus LogP
-13.2
Log S (ESOL)
-10.07
Class (ESOL)
Insoluble
Log S (Ali)
-14.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.04
Class (SILICOS-IT)
Insoluble

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)
-31.24

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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] Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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