4,7,10,13-Tetraoxahexadeca-1,15-diyne - CAS 126422-58-0

Inquiry

4,7,10,13-Tetraoxahexadeca-1,15-diyne is a homobifunctional PEG linker with two propargyl groups. The propargyl group forms triazole linkage with azide-bearing compounds or biomolecules via copper catalyzed Click Chemistry.

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Molecular Formula

C12H18O4

Molecular Weight

226.27

4,7,10,13-Tetraoxahexadeca-1,15-diyne

- Specification
  - Purity
    
    >95%
    
    Solubility
    
    Soluble in DMSO
    
    Appearance
    
    Pale Yellow Oily Liquid
    
    Storage
    
    Store at 2-8°C for short term (days to weeks) or -20°C for long term (months to years)
    
    Shipping
    
    Room temperature in continental US; may vary elsewhere.
    
    IUPAC Name
    
    3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]prop-1-yne
    
    Synonyms
    
    Bis-propargyl-PEG4; Alkyne-PEG4-Alkyne; Propargyl-PEG4-Propargyl; Bis-propargyl-PEG3; 4,7,10,13-Tetraoxa-1,15-hexadecadiyne; α,ω-bis(O-propargyl)triethylene glycol
- Properties
  - Boiling Point
    
    292.2±30.0 °C at 760 mmHg
    
    Density
    
    1.0±0.1 g/cm3
    
    InChI Key
    
    PHRQSGRBGBTBAD-UHFFFAOYSA-N
    
    InChI
    
    InChI=1S/C12H18O4/c1-3-5-13-7-9-15-11-12-16-10-8-14-6-4-2/h1-2H,5-12H2
    
    Canonical SMILES
    
    C#CCOCCOCCOCCOCC#C
- Reference Reading
  - 1. Two [7.3.1]azabicyclo-z-3-ene-1,5-diyne analogues of dynemicin A
    
    V M Lynch, R A Fairhurst, T N Iliadis, P Magnus, B E Davis Acta Crystallogr C. 1995 Apr 15;51 ( Pt 4):782-6.doi: 10.1107/s0108270194010231.
    
    The crystal structures of methyl 6-methoxy-17-oxo-2-azatricyclo[7.7.1.0(3,8)]heptadeca-3(8),4 ,6,13-tetraene- 11,15-diyne-2-carboxylate ethyl acetate solvate, (1), 2C19H15NO4.0.5C4H8O2, and tricyclo[3.3.1.1(3,7)]decyl 6-methoxy-17-oxo-2-azatricyclo[7.7.1.0(3,8)]heptadeca-3(8),4 ,6,13-tetraene- 11,15-diyne-2-carboxylate ethyl acetate solvate, (2), C28H27NO4.0.5C4H8O2, are reported. For compound (1), two crystallographically independent molecules are observed. Interestingly, for both compounds (1) and (2), a molecule of ethyl acetate is found in the crystal lattice disordered about an inversion center. The azabicyclo[7.3.1]enediyne core appears to be fairly rigid. Only minor differences are observed in the ring conformation between the two independent molecules in (1) and between compounds (1) and (2) themselves. The conformation is also similar to that found in deoxydynemicin A [Shiomi, Iinuma, Naganawa, Hamada, Hattori, Nakamura, Takeuchi & Iitaka (1990). J. Antibiot. 43, 1000-1005] and triacetyldynemicin A [Konishi, Ohkuma, Tsuno, Oki, Van Duyne & Clardy (1990). J. Am. Chem. Soc. 112, 3715-3716]. The transannular diyne distance (C3...C8) averages 3.428 (2) A for compound (1) and is 3.403 (3) A for compound (2).
- Preparing Stock Solutions
  - ConcentrationVolumeMass 1 mg 5 mg 10 mg
    
    1 mM 4.4195 mL 22.0975 mL 44.1950 mL
    
    5 mM 0.8839 mL 4.4195 mL 8.8390 mL
    
    10 mM 0.4419 mL 2.2097 mL 4.4195 mL

ConcentrationVolumeMass	1 mg	5 mg	10 mg
1 mM	4.4195 mL	22.0975 mL	44.1950 mL
5 mM	0.8839 mL	4.4195 mL	8.8390 mL
10 mM	0.4419 mL	2.2097 mL	4.4195 mL

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