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Triphosphoric acid, sodium salt(CAS No. 13573-18-7)

Triphosphoric acid, sodium salt H5O10P3.xNa (cas 13573-18-7) Molecular Structure

13573-18-7 Structure

Identification and Related Records

【Name】
Triphosphoric acid, sodium salt
【CAS Registry number】
13573-18-7
【Synonyms】
CCRIS 2307
Sodium triphosphate
【EINECS(EC#)】
237-004-9
【Molecular Formula】
H5O10P3.xNa (Products with the same molecular formula)
【Molecular Weight】
301.9186
【Inchi】
InChI=1/2Na.H5O10P3/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)/q2*+1;/p-2
【Canonical SMILES】
OP(=O)(O)OP(=O)(O)OP(=O)(O)O
【MOL File】
13573-18-7.mol

Chemical and Physical Properties

【Appearance】
white powder
【Computed Properties】
Molecular Weight:257.954983 [g/mol]
Molecular Formula:H5O10P3
XLogP3-AA:-4.3
H-Bond Donor:5
H-Bond Acceptor:10
Rotatable Bond Count:4
Exact Mass:257.909556
MonoIsotopic Mass:257.909556
Topological Polar Surface Area:171
Heavy Atom Count:13
Formal Charge:0
Complexity:272
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:8
Feature 3D Anion Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:5

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