Mal-bis-PEG3-DBCO

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Mal-bis-PEG3-DBCO

Mal-bis-PEG3-DBCO

Catalog Number R01-0298
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C70H84N8O17
Molecular Weight 1309.46
Catalog Number Size Price Quantity
R01-0298 -- $--

Chemical Information

Purity ≥95%
Shelf Life 0-4°C for short term (days to weeks), or -20°C for long term (months).
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64)NC(=O)CCN7C(=O)C=CC7=O
InChI InChI=1S/C70H84N8O17/c79-62(21-23-69(86)77-49-57-13-3-1-9-53(57)17-19-55-11-5-7-15-60(55)77)71-30-37-88-41-45-92-47-43-90-39-32-73-64(81)28-35-94-51-59(75-66(83)27-34-76-67(84)25-26-68(76)85)52-95-36-29-65(82)74-33-40-91-44-48-93-46-42-89-38-31-72-63(80)22-24-70(87)78-50-58-14-4-2-10-54(58)18-20-56-12-6-8-16-61(56)78/h1-16,25-26,59H,21-24,27-52H2,(H,71,79)(H,72,80)(H,73,81)(H,74,82)(H,75,83)
InChI Key YVRVBZDYHPVZNT-UHFFFAOYSA-N
Solubility 10 mm in DMSO
Appearance Light yellow oil
  • Product Specification
Storage -20°C

Computed Properties

XLogP3 -0.2
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 17
Rotatable Bond Count 44
Exact Mass 1308.59544324 g/mol
Monoisotopic Mass 1308.59544324 g/mol
Topological Polar Surface Area 297Ų
Heavy Atom Count 95
Formal Charge 0
Complexity 2450
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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