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BDP FL-PEG5-propargyl
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BDP FL-PEG5-propargyl

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Catalog NumberCCR2093197932
CAS2093197-93-2
Synonyms3-(5,5-Difluoro-7,9-dimethyl-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)-N-(3,6,9,12,15-pentaoxaoctadec-17-yn-1-yl)propanamide
IUPAC Name3-(2,2-Difluoro-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
Molecular Weight549.4
Molecular FormulaC27H38BF2N3O6
Canonical SMILESGPYLESDPNBDJRD-UHFFFAOYSA-N
InChI3-(2,2-difluoro-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
InChI KeyInChI=1S/C27H38BF2N3O6/c1-4-10-35-12-14-37-16-18-39-19-17-38-15-13-36-11-9-31-27(34)8-7-24-5-6-25-21-26-22(2)20-23(3)32(26)28(29,30)33(24)25/h1,5-6,20-21H,7-19H2,2-3H3,(H,31,34)
Purity98%
SolubilitySoluble in DMSO, DMF, DCM
ApplicationCuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction
Storage-20 °C
Complexity964
Exact Mass549.2821724
Isomeric SMILES[B-]1(N2C(=CC=C2CCC(=O)NCCOCCOCCOCCOCCOCC#C)C=C3[N+]1=C(C=C3C)C)(F)F
Monoisotopic Mass549.2821724
Topological Polar Surface Area83.2Ų

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