(2R)-2-amino-7-(diethoxyphosphoryl)heptanoic acid

• ChemBase ID: 189761
• Molecular Formular: C11H24NO5P
• Molecular Mass: 281.285721
• Monoisotopic Mass: 281.1392095
• SMILES: P(=O)(OCC)(OCC)CCCCC[C@H](C(=O)O)N
• Canonical SMILES: CCOP(=O)(OCC)CCCCC[C@H](C(=O)O)N
• InChI: InChI=1S/C11H24NO5P/c1-3-16-18(15,17-4-2)9-7-5-6-8-10(12)11(13)14/h10H,3-9,12H2,1-2H3,(H,13,14)/t10-/m1/s1
• InChIKey: FICANJZUUYDRMG-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-7-(diethoxyphosphoryl)heptanoic acid
• IUPAC Traditional name: (2R)-2-amino-7-(diethoxyphosphoryl)heptanoic acid

Database IDs

• PubChem SID: 164245671
• PubChem CID: 1795725

CALCULATED PROPERTIES

• Acid pKa: 2.0616095
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5981152
• LogD (pH = 7.4): -1.6009198
• Log P: -1.5981092
• Molar Refractivity: 68.2553 cm^3
• Polarizability: 27.797764 Å^3
• Polar Surface Area: 98.85 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds