DBCO-SS-PEG4-Biotin

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DBCO-SS-PEG4-Biotin

DBCO-SS-PEG4-Biotin

Catalog Number R01-0303
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C45H62N6O9S3
Molecular Weight 927.20
Catalog Number Size Price Quantity
R01-0303 -- $--

Chemical Information

Purity ≥95%
Shelf Life 0-4°C for short term (days to weeks), or -20°C for long term (months).
Canonical SMILES C1C2C(C(S1)CCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCSSCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC(=O)N2
InChI InChI=1S/C45H62N6O9S3/c52-40(13-3-1-2-12-39-44-37(33-61-39)49-45(56)50-44)46-19-23-58-25-27-60-29-28-59-26-24-57-22-18-42(54)48-21-31-63-62-30-20-47-41(53)16-17-43(55)51-32-36-10-5-4-8-34(36)14-15-35-9-6-7-11-38(35)51/h4-11,37,39,44H,1-3,12-13,16-33H2,(H,46,52)(H,47,53)(H,48,54)(H2,49,50,56)/t37-,39-,44-/m0/s1
InChI Key ZUNYXNOVQARZNV-LJFGWUDESA-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 1.8
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 31
Exact Mass 926.37404110 g/mol
Monoisotopic Mass 926.37404110 g/mol
Topological Polar Surface Area 262Ų
Heavy Atom Count 63
Formal Charge 0
Complexity 1490
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
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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