({[(acetyloxy)methoxy](benzyl)phosphoryl}oxy)methyl acetate

• ChemBase ID: 105358
• Molecular Formular: C13H17O7P
• Molecular Mass: 316.243641
• Monoisotopic Mass: 316.07118951
• SMILES: CC(=O)OCOP(=O)(Cc1ccccc1)OCOC(=O)C
• Canonical SMILES: CC(=O)OCOP(=O)(Cc1ccccc1)OCOC(=O)C
• InChI: InChI=1S/C13H17O7P/c1-11(14)17-9-19-21(16,20-10-18-12(2)15)8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3
• InChIKey: HTYPCSUJWFIDEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({[(acetyloxy)methoxy](benzyl)phosphoryl}oxy)methyl acetate
• IUPAC Traditional name: {[(acetyloxy)methoxy(benzyl)phosphoryl]oxy}methyl acetate
• Synonyms: Benzylphosphonic acid bis-acetoxymethyl ester; BENZYLPHOSPHONIC ACID-(AM)2

Database IDs

• PubChem SID: 162105877
• PubChem CID: 44134571

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5868446
• LogD (pH = 7.4): 1.5868446
• Log P: 1.5868446
• Molar Refractivity: 71.3856 cm^3
• Polarizability: 29.581144 Å^3
• Polar Surface Area: 88.13 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: -20°C

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02159894

Purity: 98%
Cell permeable tyrosine phosphatase inhibitor.