ammonium (2R)-1-{[2-(4-{2-azatricyclo[10.4.0.0⁴,⁹]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)ethyl phosphonato]oxy}-3-(hexadecanoyloxy)propan-2-yl hexadecanoate
Compound number
MolPort-047-917-192
CAS number
2260670-42-4
IUPAC
ammonium (2R)-1-{[2-(4-{2-azatricyclo[10.4.0.0⁴,⁹]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)ethyl phosphonato]oxy}-3-(hexadecanoyloxy)propan-2-yl hexadecanoate
IUPAC traditional
ammonium (2R)-1-{[2-(4-{2-azatricyclo[10.4.0.0⁴,⁹]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)ethyl phosphonato]oxy}-3-(hexadecanoyloxy)propan-2-yl hexadecanoate
SMILES
[NH4+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12)OC(=O)CCCCCCCCCCCCCCC |r|
InChI key
VMNQBMCGXSXSJG-GLOFXQGCSA-N
Molecular formula
Molecular weight
996.321
Solubility
not available
Marketplace Offers
More Information
Compound identifiers
Compound number
MolPort-047-917-192
CAS number
2260670-42-4
Names, Synonyms and 3rd Party Identifiers
16:0 DBCO PE
InChI
InChI
1/C56H87N2O10P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37-55(61)65-46-51(68-56(62)38-28-26-24-22-20-18-16-14-12-10-8-6-4-2)47-67-69(63,64)66-44-43-57-53(59)41-42-54(60)58-45-50-35-30-29-33-48(50)39-40-49-34-31-32-36-52(49)58;/h29-36,51H,3-28,37-38,41-47H2,1-2H3,(H,57,59)(H,63,64);1H3/t51-;/m1./s1
InChI key
VMNQBMCGXSXSJG-GLOFXQGCSA-N
Formula
Molecular formula
C56H90N3O10P
Molecular weight
996.321
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