{[(acetyloxy)methyl](methyl)phosphoryl}methyl acetate

• ChemBase ID: 121876
• Molecular Formular: C7H13O5P
• Molecular Mass: 208.148881
• Monoisotopic Mass: 208.05006015
• SMILES: P(=O)(COC(=O)C)(COC(=O)C)C
• Canonical SMILES: CC(=O)OCP(=O)(COC(=O)C)C
• InChI: InChI=1S/C7H13O5P/c1-6(8)11-4-13(3,10)5-12-7(2)9/h4-5H2,1-3H3
• InChIKey: CVPROZKMXFXJMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[(acetyloxy)methyl](methyl)phosphoryl}methyl acetate
• IUPAC Traditional name: [(acetyloxy)methyl(methyl)phosphoryl]methyl acetate
• Synonyms: (methylphosphoryl)bis(methylene) diacetate

Database IDs

• PubChem SID: 162216229
• PubChem CID: 657748

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.8284501
• LogD (pH = 7.4): -1.8284501
• Log P: -1.8284501
• Molar Refractivity: 45.0272 cm^3
• Polarizability: 18.632309 Å^3
• Polar Surface Area: 69.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true