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14396-43-1 molecular structure
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tris($l^{3}-nickel(3+) ion) heptahydrate triphosphate

ChemBase ID: 110785
Molecular Formular: H14Ni3O19P3
Molecular Mass: 587.101243
Monoisotopic Mass: 584.74024182
SMILES and InChIs

SMILES:
O.O.O.O.O.O.O.[Ni+3].[Ni+3].[Ni+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]
Canonical SMILES:
[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].O.O.O.O.O.O.O.[Ni+3].[Ni+3].[Ni+3]
InChI:
InChI=1S/3Ni.3H3O4P.7H2O/c;;;3*1-5(2,3)4;;;;;;;/h;;;3*(H3,1,2,3,4);7*1H2/q3*+3;;;;;;;;;;/p-9
InChIKey:
YXECDIICVCKQSJ-UHFFFAOYSA-E

Cite this record

CBID:110785 http://www.chembase.cn/molecule-110785.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris($l^{3}-nickel(3+) ion) heptahydrate triphosphate
IUPAC Traditional name
trinickel(3+) heptahydrate triphosphate
Synonyms
NICKEL PHOSPHATE
CAS Number
14396-43-1
PubChem SID
162096468
PubChem CID
25021992

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05216302 external link Add to cart Please log in.
Data Source Data ID
PubChem 25021992 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7961261  H Acceptors
H Donor LogD (pH = 5.5) -3.3916447 
LogD (pH = 7.4) -3.9718332  Log P -1.0201038 
Molar Refractivity 11.2868 cm3 Polarizability 5.564544 Å3
Polar Surface Area 86.25 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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