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Molecule
ID:130624
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
H₁₂Na₅O₁₆P₃
Molecular Mass
475.955813
Exact Mass
475.8826656
Charge
0
InChI
InChI=1S/5Na.H5O10P3.6H2O/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6;;;;;;/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6);6*1H2/q5*+1;;;;;;;/p-5
InChIKey
FGXJOKTYAQIFRP-UHFFFAOYSA-I
Canonic Smiles
[O-]P(=O)(OP(=O)([O-])[O-])OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+]
Isomeric Smiles
O.O.O.O.O.O.[O-]P(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
Calculated Properties
JChem
Acid pKa
0.8897367
H Acceptors
8
H Donor
0
LogD (pH = 5.5)
-8.594191
LogD (pH = 7.4)
-9.564033
Log P
-1.8637007
Molar Refractivity
30.7892
Polarizability
15.037942
Polar Surface Area
184.97
Rotatable Bonds
4
Lipinski's Rule of Five
true
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Molecule Details
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IUPAC name
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IUPAC Traditional name
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Data Source
Commercial Catalog
Sigma Aldrich
T5633
Academic Data
PubChem
23064738
Names and Identifiers
IUPAC name
pentasodium hexahydrate bis(phosphonatooxy)phosphinate
IUPAC Traditional name
pentasodium hexahydrate triphosphate
Synonyms
三聚磷酸钠 六水合物
Pentasodium tripolyphosphate hexahydrate
Registration numbers
EC Number
231-838-7
PubChem SID
24900304
162224902
MDL Number
MFCD00149203
PubChem CID
23064738
Properties
Safety Information
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
German water hazard class
1
Source
Safety Statements
26
-
36
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
GHS Signal Word
Warning
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
European Hazard Symbols
Irritant (Xi)
Source
Risk Statements
36/37/38
Source
Product Information
Purity
~98%
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay