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Propane-1,3-(PEG12-DBCO),2-alcohol

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Category Small-molecule Alkyne PEG
Catalog NO. BPG-3931
Product Name Propane-1,3-(PEG12-DBCO),2-alcohol
Molecular Formula C89H132N4O29
Molecular Weight 1722.1
Propane-1,3-(PEG12-DBCO),2-alcohol
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Product Information

Synonyms BP-29727; Propane-1,3-(PEG12-DBCO),2-alcohol
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-[3-[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]-2-hydroxypropoxy]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)O
InChI InChI=1S/C89H132N4O29/c94-83(75-121-71-69-119-67-65-117-63-61-115-59-57-113-55-53-111-51-49-109-47-45-107-43-41-105-39-37-103-35-33-101-31-29-99-27-25-90-86(95)21-23-88(97)92-73-81-13-3-1-9-77(81)17-19-79-11-5-7-15-84(79)92)76-122-72-70-120-68-66-118-64-62-116-60-58-114-56-54-112-52-50-110-48-46-108-44-42-106-40-38-104-36-34-102-32-30-100-28-26-91-87(96)22-24-89(98)93-74-82-14-4-2-10-78(82)18-20-80-12-6-8-16-85(80)93/h1-16,83,94H,21-76H2,(H,90,95)(H,91,96)
InChIKey UNSGOXJFANQYGM-UHFFFAOYSA-N
Purity 0.95
Storage -20°C

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