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CAS 1313-30-0 SODIUM PHOSPHOMOLYBDATE molecular structure lightbox
CAS RN: 1313-30-0

SODIUM PHOSPHOMOLYBDATE

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4 package records3 with current stock1 grade group
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Batchno.20260126 100g In stock Inquiry
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  • Product code: starshine_CAS1313-30-0
  • Purity/Analytical Methods: >99.0%
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1313-30-0 / trisodium;dodecakis(trioxomolybdenum);phosphate

Standard CAS: 1313-30-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1313-30-0
Multi CAS
No
Molecular Formula
Mo12Na3O40P
Molecular Weight
1891.300000
Exact Mass
1889.609073
SMILES
[O-]P(=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.[Na+].[Na+].[Na+]
InChI
InChI=1S/12Mo.3Na.H3O4P.36O/c;;;;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3
InChIKey
TXYKAWLFCATKDB-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
56
H-bond acceptors
40
Molar refractivity
32.32
TPSA
700.77

LogP / Solubility

WLOGP
-16.12
MLOGP
-13.98
XLogP3
-16.12
Consensus LogP
-15.41
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
1.43
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)
-25.7

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)
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]
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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