Mal-PEG4-bis-PEG3-DBCO

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Mal-PEG4-bis-PEG3-DBCO

Mal-PEG4-bis-PEG3-DBCO

Catalog Number R01-0306
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C81H105N9O22
Molecular Weight 1556.75
Catalog Number Size Price Quantity
R01-0306 -- $--

Chemical Information

Purity ≥95%
Shelf Life ≥ 2 years
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)CCOCCOCCOCCOCCNC(=O)CCN7C(=O)C=CC7=O
InChI InChI=1S/C81H105N9O22/c91-72(21-23-80(99)89-59-67-13-3-1-9-63(67)17-19-65-11-5-7-15-70(65)89)82-31-40-102-46-52-108-54-48-105-43-34-85-75(94)28-38-111-61-69(87-77(96)30-37-101-45-51-107-57-58-110-56-50-104-42-33-84-74(93)27-36-88-78(97)25-26-79(88)98)62-112-39-29-76(95)86-35-44-106-49-55-109-53-47-103-41-32-83-73(92)22-24-81(100)90-60-68-14-4-2-10-64(68)18-20-66-12-6-8-16-71(66)90/h1-16,25-26,69H,21-24,27-62H2,(H,82,91)(H,83,92)(H,84,93)(H,85,94)(H,86,95)(H,87,96)
InChI Key ZIFGJVXTBDLRCF-UHFFFAOYSA-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 -1.6
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 22
Rotatable Bond Count 59
Exact Mass 1555.73741601 g/mol
Monoisotopic Mass 1555.73741601 g/mol
Topological Polar Surface Area 363Ų
Heavy Atom Count 112
Formal Charge 0
Complexity 2850
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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