[3-(hydroxyamino)propyl]phosphonic acid

• ChemBase ID: 170104
• Molecular Formular: C3H10NO4P
• Molecular Mass: 155.089561
• Monoisotopic Mass: 155.03474444
• SMILES: OP(=O)(O)CCCNO
• Canonical SMILES: ONCCCP(=O)(O)O
• InChI: InChI=1S/C3H10NO4P/c5-4-2-1-3-9(6,7)8/h4-5H,1-3H2,(H2,6,7,8)
• InChIKey: CRZNAZZXMBDMBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(hydroxyamino)propyl]phosphonic acid
• IUPAC Traditional name: 3-(hydroxyamino)propylphosphonic acid
• Synonyms: P-[3-(Hydroxyamino)propyl]phosphonic Acid; NSC 377717; 3-(N-Hydroxyamino)propyl Phosphonate

Database IDs

• CAS Number: 66508-11-0
• PubChem SID: 164226014
• PubChem CID: 342170

CALCULATED PROPERTIES

• Acid pKa: 1.7829326
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -3.6136456
• LogD (pH = 7.4): -4.209526
• Log P: -3.17535
• Molar Refractivity: 42.3744 cm^3
• Polarizability: 12.838328 Å^3
• Polar Surface Area: 89.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMF; Ethanol; Methanol; Water
• Apperance: White Powder