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Amino-bis-PEG3-BCN
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Amino-bis-PEG3-BCN

Catalog NumberCCR270
IUPAC Name[(1R,8S)-9-Bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-[3-[2-amino-3-[3-[2-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular Weight936.1
Molecular FormulaC47H77N5O14
Canonical SMILESC1CC2C(C2COC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)OCC3C4C3CCC#CCC4)N)CCC#C1
InChIInChI=1S/C47H77N5O14/c48-37(33-63-19-13-44(53)49-15-21-57-25-29-61-31-27-59-23-17-51-46(55)65-35-42-38-9-5-1-2-6-10-39(38)42)34-64-20-14-45(54)50-16-22-58-26-30-62-32-28-60-24-18-52-47(56)66-36-43-40-11-7-3-4-8-12-41(40)43/h37-43H,5-36,48H2,(H,49,53)(H,50,54)(H,51,55)(H,52,56)/t37?,38-,39+,40-,41+,42?,43?
InChI KeyVVMOGVLTUWAOKE-HETSUFEZSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity1380
Exact Mass935.54670215
Isomeric SMILESC1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)OCC3[C@H]4[C@@H]3CCC#CCC4)N)CCC#C1
Monoisotopic Mass935.54670215
Topological Polar Surface Area235Ų

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