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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Daptomycin-[d5] Trifluoroacetate

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General Information
Catalog: BLP-012298
CAS: 1356579-56-0
Molecular Formula: C78H99D5F9N17O32
Molecular Weight: 1967.77
Chemical Structure
Daptomycin-[d5] Trifluoroacetate
Description Daptomycin-[d5] Trifluoroacetate is a labelled analogue of Daptomycin. Daptomycin is an antibiotic used for the treatment of infections caused by Gram-positive organisms.
Synonyms Daptomycin D5 Trifluoroacetate; [D5]-Cubicin; Ly-146032-d5 Trifluoroacetic Salt; Cidecin-d5 Trifluoroacetic Salt; Cubicin-d5 Trifluoroacetic Salt; Daptomycin-d5 Trifluoroacetic Acid Salt
IUPAC Name (3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid
Related CAS 103060-53-3 (unlabelled)
Canonical SMILES CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C
InChI InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45+,46+,47+,48+,49+,50-,60+,61+/m1/s1/i13D,15D,17D,20D,31D
InChI Key DOAKLVKFURWEDJ-WJGQFOGUSA-N
Boiling Point 2078.2±65.0 °C at 760 mmHg
Melting Point 145-148°C
Purity 95% by HPLC; 95% atom D
Density 1.5±0.1 g/cm3
Appearance Pale Brown Solid
Storage Store at -20°C
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