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PEG3-bis(Amino-Tri-(Propargyl-PEG2-ethoxymethyl)-methane)
| Catelog Number | R01-0072 |
| Category | Alkynes |
| Molecular Formula | C78H126N8O29 |
| Molecular Weight | 1639.9 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R01-0072 | -- | $-- |
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Chemical Information |
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|---|---|
| Purity | 98% |
| IUPAC Name | N-[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]-3-[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]propanamide |
| Canonical SMILES | C#CCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCC#C)(COCCC(=O)NCCOCCOCC#C)NC(=O)CCOCCOCCOCCC(=O)NC(COCCC(=O)NCCOCCOCC#C)(COCCC(=O)NCCOCCOCC#C)COCCC(=O)NCCOCCOCC#C |
| InChI | InChI=1S/C78H126N8O29/c1-7-27-95-47-55-103-41-21-79-69(87)13-35-110-63-77(64-111-36-14-70(88)80-22-42-104-56-48-96-28-8-2,65-112-37-15-71(89)81-23-43-105-57-49-97-29-9-3)85-75(93)19-33-101-53-61-109-62-54-102-34-20-76(94)86-78(66-113-38-16-72(90)82-24-44-106-58-50-98-30-10-4,67-114-39-17-73(91)83-25-45-107-59-51-99-31-11-5)68-115-40-18-74(92)84-26-46-108-60-52-100-32-12-6/h1-6H,13-68H2,(H,79,87)(H,80,88)(H,81,89)(H,82,90)(H,83,91)(H,84,92)(H,85,93)(H,86,94) |
| InChI Key | KMGOKDSPPQHINZ-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
Product Specification |
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| Storage | -20 °C |
Computed Properties | |
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| XLogP3 | -8.4 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 29 |
| Rotatable Bond Count | 86 |
| Exact Mass | 1638.86307001 g/mol |
| Monoisotopic Mass | 1638.86307001 g/mol |
| Topological Polar Surface Area | 427Ų |
| Heavy Atom Count | 115 |
| Formal Charge | 0 |
| Complexity | 2400 |
| 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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