Mal-PEG4-(PEG3-DBCO)-(PEG3-TCO)

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Mal-PEG4-(PEG3-DBCO)-(PEG3-TCO)

Mal-PEG4-(PEG3-DBCO)-(PEG3-TCO)

Catelog Number R01-0307
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C62H88N6O18
Molecular Weight 1205.39
Catalog Number Size Price Quantity
R01-0307 -- $--

Chemical Information

Purity ≥95%
Shelf Life 0-4℃ for short term (days to weeks), or -20℃ for long term (months).
Canonical SMILES C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCN(CCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42)C(=O)CCOCCOCCOCCOCCNC(=O)CCN5C(=O)C=CC5=O
InChI InChI=1S/C62H88N6O18/c69-56(18-19-61(74)68-50-53-12-7-6-10-51(53)16-17-52-11-8-9-15-55(52)68)63-24-31-77-37-43-83-46-40-80-34-28-66(29-35-81-41-47-84-45-39-79-33-26-65-62(75)86-54-13-4-2-1-3-5-14-54)58(71)23-30-76-36-42-82-48-49-85-44-38-78-32-25-64-57(70)22-27-67-59(72)20-21-60(67)73/h1-2,6-12,15,20-21,54H,3-5,13-14,18-19,22-50H2,(H,63,69)(H,64,70)(H,65,75)/b2-1+/t54-/m1/s1
InChI Key JJDBFSGLRWTZBZ-XJWGYQCMSA-N
Solubility 10 mm in DMSO
Appearance Light yellow oil

Product Specification

Storage Store at -20 °C, keep in dry and avoid sunlight.

Computed Properties

XLogP3 0.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 47
Exact Mass 1204.61550998 g/mol
Monoisotopic Mass 1204.61550998 g/mol
Topological Polar Surface Area 267Ų
Heavy Atom Count 86
Formal Charge 0
Complexity 2090
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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