hexakis(sodiooxy)cyclohexaphosphoxane-2,4,6,8,10,12-hexone

• ChemBase ID: 129526
• Molecular Formular: Na6O18P6
• Molecular Mass: 611.770386
• Monoisotopic Mass: 611.68964863
• SMILES: [Na]OP1(=O)OP(=O)(O[Na])OP(=O)(O[Na])OP(=O)(O[Na])OP(=O)(O[Na])OP(=O)(O[Na])O1
• Canonical SMILES: [Na]OP1(=O)OP(=O)(O[Na])OP(=O)(O[Na])OP(=O)(OP(=O)(OP(=O)(O1)O[Na])O[Na])O[Na]
• InChI: InChI=1S/6Na.H6O18P6/c;;;;;;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h;;;;;;(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)/q6*+1;/p-6
• InChIKey: GCLGEJMYGQKIIW-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: hexakis(sodiooxy)cyclohexaphosphoxane-2,4,6,8,10,12-hexone
• IUPAC Traditional name: hexakis(sodiooxy)cyclohexaphosphoxane-2,4,6,8,10,12-hexone
• Synonyms: Calgon S; Glassy sodium; Graham's salt; Hexasodium metaphosphate; Metaphosphoric acid, hexasodium salt; Sodium hexametaphosphate

Database IDs

• CAS Number: 10124-56-8
• EC Number: 233-343-1
• PubChem SID: 162223818
• PubChem CID: 24968; 71308271
• Chemspider ID: 23340
• MeSH Name: sodium+polymetaphosphate
• Wikipedia Title: Sodium_hexametaphosphate

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.3308
• LogD (pH = 7.4): 4.3308
• Log P: 4.3308
• Molar Refractivity: 57.951 cm^3
• Polarizability: 40.19822 Å^3
• Polar Surface Area: 213.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: insoluble in organic solvents; soluble in water
• Apperance: White crystals
• Melting Point: 628°C
• Boiling Point: 1500°C
• Density: 2.484 g/cm^3
• Refractive Index: 1.482
• Odor: odorless

Safety Information

• Safety Statements: S24/25
• Main Hazard: Irritant
• LD50: 3.053 g kg^-1