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CAS 12026-57-2 PHOSPHOMOLYBDIC ACID molecular structure lightbox
CAS RN: 12026-57-2

PHOSPHOMOLYBDIC ACID

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  • Product code: starshine_CAS12026-57-2
  • Purity/Analytical Methods: >99.0%
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12026-57-2 / phosphoric acid;dodecakis(trioxomolybdenum)

12-Molybdophosphoric acid | RefChem:437355 | phosphoric acid;trioxomolybdenum

Standard CAS: 12026-57-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
12026-57-2
Multi CAS
Yes
Molecular Formula
H3Mo12O40P
Molecular Weight
1825.400000
Exact Mass
1823.663240
SMILES
OP(=O)(O)O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O
InChI
InChI=1S/12Mo.H3O4P.36O/c;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKey
DHRLEVQXOMLTIM-UHFFFAOYSA-N
Synonyms
12-Molybdophosphoric acid RefChem:437355 phosphoric acid;trioxomolybdenum phosphomolybdicacid Masson Trichrome

Computed Properties

Structural Parameters

Heavy atom count
53
H-bond acceptors
37
H-bond donors
3
Molar refractivity
38.98
TPSA
692.28

LogP / Solubility

WLOGP
-5.24
MLOGP
-4.41
XLogP3
-5.24
Consensus LogP
-4.96
Log S (ESOL)
-7.86
Class (ESOL)
Insoluble
Log S (Ali)
-10.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.18
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)
-17.57

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
4

Safety & Transport

Pictogram(s)
Oxidizer Corrosive
Signal
Danger
GHS Hazard Statements
H272 (15.8%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (15.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P220, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P405, and P501

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