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N-(endo-BCN-PEG2-amido-PEG3)-N-bis-(PEG3-Amino-Tri-(Propargyl-PEG2-ethoxymethyl)-methane)
| Catalog Number | R01-0069 |
| Category | Alkynes |
| Molecular Formula | C112H185N11O40 |
| Molecular Weight | 2325.8 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R01-0069 | -- | $-- |
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Chemical Information |
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| IUPAC Name | [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[3-[2-[2-[2-[2-[bis[2-[2-[2-[3-[[1,3-bis[3-oxo-3-[2-(2-prop-2-ynoxyethoxy)ethylamino]propoxy]-2-[[3-oxo-3-[2-(2-prop-2-ynoxyethoxy)ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate |
| Canonical SMILES | C#CCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCC#C)(COCCC(=O)NCCOCCOCC#C)NC(=O)CCOCCOCCOCCN(CCOCCOCCOCCC(=O)NC(COCCC(=O)NCCOCCOCC#C)(COCCC(=O)NCCOCCOCC#C)COCCC(=O)NCCOCCOCC#C)CCOCCOCCOCCNC(=O)CCOCCOCCNC(=O)OCC1C2C1CCC#CCC2 |
| InChI | InChI=1S/C112H185N11O40/c1-7-39-134-65-74-143-54-29-114-102(125)20-48-157-92-111(93-158-49-21-103(126)115-30-55-144-75-66-135-40-8-2,94-159-50-22-104(127)116-31-56-145-76-67-136-41-9-3)121-108(131)26-46-141-72-85-154-88-82-151-62-36-123(38-64-153-84-90-156-87-81-149-60-28-113-101(124)19-45-140-71-80-150-61-35-120-110(133)163-91-100-98-17-15-13-14-16-18-99(98)100)37-63-152-83-89-155-86-73-142-47-27-109(132)122-112(95-160-51-23-105(128)117-32-57-146-77-68-137-42-10-4,96-161-52-24-106(129)118-33-58-147-78-69-138-43-11-5)97-162-53-25-107(130)119-34-59-148-79-70-139-44-12-6/h1-6,98-100H,15-97H2,(H,113,124)(H,114,125)(H,115,126)(H,116,127)(H,117,128)(H,118,129)(H,119,130)(H,120,133)(H,121,131)(H,122,132)/t98-,99+,100? |
| InChI Key | SVXUYMHTZLRTMU-RMEDYJPJSA-N |
- Product Specification
| Storage | -20 °C |
Computed Properties | |
|---|---|
| XLogP3 | -8.2 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 41 |
| Rotatable Bond Count | 122 |
| Exact Mass | 2325.2813846 g/mol |
| Monoisotopic Mass | 2324.2780297 g/mol |
| Topological Polar Surface Area | 571Ų |
| Heavy Atom Count | 163 |
| Formal Charge | 0 |
| Complexity | 3730 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Applications of Fluorescent Probes & Dyes
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