59-azido-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontan-1-ol

• ChemBase ID: 142454
• Molecular Formular: C40H81N3O20
• Molecular Mass: 924.07924
• Monoisotopic Mass: 923.54134201
• SMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)N=[N+]=[N-]
• Canonical SMILES: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C40H81N3O20/c41-43-42-1-3-45-5-7-47-9-11-49-13-15-51-17-19-53-21-23-55-25-27-57-29-31-59-33-35-61-37-39-63-40-38-62-36-34-60-32-30-58-28-26-56-24-22-54-20-18-52-16-14-50-12-10-48-8-6-46-4-2-44/h44H,1-40H2
• InChIKey: FRLHZVCZJNPUMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 59-azido-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontan-1-ol
• IUPAC Traditional name: 59-azido-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontan-1-ol
• Synonyms: Azido-PEG (n=19); O-(2-Azidoethyl)nonadecaethylene glycol; 叠氮-PEG（聚合度为 19）; O-(2-叠氮乙基)十九乙烯二醇

Database IDs

• MDL Number: MFCD13184941
• PubChem SID: 162236683
• PubChem CID: 51340917

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 22
• H Donor: 1
• LogD (pH = 5.5): -1.394915
• LogD (pH = 7.4): -1.394915
• Log P: -1.2808694
• Molar Refractivity: 230.6726 cm^3
• Polarizability: 90.85574 Å^3
• Polar Surface Area: 225.03 Å^2
• Rotatable Bonds: 59
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95% (oligomer purity)
• Empirical Formula (Hill Notation): C40H81N3O20

DETAILS

Sigma Aldrich - 726249

Packaging
250 mg in glass bottle