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Propane-1,2,3-(PEG11-DBCO)
| Catalog Number | R01-0321 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C132H194N6O42 |
| Molecular Weight | 2537.0 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Chemical Information
Product Specification
Computed Properties
| Purity | 98% |
| IUPAC Name | 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2,3-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N7CC8=CC=CC=C8C#CC9=CC=CC=C97 |
| InChI | InChI=1S/C132H194N6O42/c139-127(31-34-130(142)136-109-120-19-4-1-13-114(120)25-28-117-16-7-10-22-124(117)136)133-37-40-145-43-46-148-49-52-151-55-58-154-61-64-157-67-70-160-73-75-163-79-81-166-85-87-169-91-93-172-97-99-175-103-105-178-112-123(180-108-107-177-102-101-174-96-95-171-90-89-168-84-83-165-78-77-162-72-69-159-66-63-156-60-57-153-54-51-150-48-45-147-42-39-135-129(141)33-36-132(144)138-111-122-21-6-3-15-116(122)27-30-119-18-9-12-24-126(119)138)113-179-106-104-176-100-98-173-94-92-170-88-86-167-82-80-164-76-74-161-71-68-158-65-62-155-59-56-152-53-50-149-47-44-146-41-38-134-128(140)32-35-131(143)137-110-121-20-5-2-14-115(121)26-29-118-17-8-11-23-125(118)137/h1-24,123H,31-113H2,(H,133,139)(H,134,140)(H,135,141) |
| InChIKey | LGHOVHRXLAKLME-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | -20 °C |
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 42 |
| Rotatable Bond Count | 122 |
| Exact Mass | 2536.3262691 g/mol |
| Monoisotopic Mass | 2535.3229142 g/mol |
| Topological Polar Surface Area | 481Ų |
| Heavy Atom Count | 180 |
| Formal Charge | 0 |
| Complexity | 3960 |
| 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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