hexamethoxy-1,3,5,2$l^{5},4$l^{5},6$l^{5}-triazatriphosphinine

• ChemBase ID: 92116
• Molecular Formular: C6H18N3O6P3
• Molecular Mass: 321.144903
• Monoisotopic Mass: 321.0408452
• SMILES: N1=P(N=P(N=P1(OC)OC)(OC)OC)(OC)OC
• Canonical SMILES: COP1(=NP(=NP(=N1)(OC)OC)(OC)OC)OC
• InChI: InChI=1S/C6H18N3O6P3/c1-10-16(11-2)7-17(12-3,13-4)9-18(8-16,14-5)15-6/h1-6H3
• InChIKey: CNQBXJDCTHCEFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexamethoxy-1,3,5,2$l^{5},4$l^{5},6$l^{5}-triazatriphosphinine
• IUPAC Traditional name: hexamethoxy-1,3,5,2$l^{5},4$l^{5},6$l^{5}-triazatriphosphinine
• Synonyms: 2,2,4,4,6,6-Hexamethoxy-1,3,5-triazatriphosphinine; Hexamethoxyphosphazene 98%

Database IDs

• CAS Number: 957-13-1
• MDL Number: MFCD00436244
• PubChem SID: 162078814
• PubChem CID: 136772

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.15402053
• LogD (pH = 7.4): -0.15391189
• Log P: -0.1539105
• Molar Refractivity: 72.9696 cm^3
• Polarizability: 27.429985 Å^3
• Polar Surface Area: 92.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46-48°C

Safety Information

• Storage Warning: Irritant