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Substance Name: Coumpound 514
RN: 103530-99-0
InChIKey: AJTUNRJTNFESSC-DPBDWXOKSA-N

Molecular Formula

  • C110-H207-N2-O23-P

Molecular Weight

  • 1956.8103
 
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Names and Synonyms

Results Name

  • Coumpound 514

Synonym

  • Coumpound 514

Systematic Name

  • alpha-D-Glucopyranose, 2-deoxy-6-O-(2-deoxy-2-((1-oxo-3-((1-oxododecyl)oxy)tetradecyl)amino)-3-O-(1-oxo-3-((1-oxotetradecyl)oxy)tetradecyl)-4-O-phosphono-beta-D-glucopyranosyl)-2-((1-oxo-3-((1-oxohexadecyl)oxy)tetradecyl)amino)-, 3-(3-hydroxytetradecanoate), (2(R),3(R),6(2(R),3(R)))-

Registry Numbers

CAS Registry Number

  • 103530-99-0

System Generated Number

  • 0103530990

Structure Descriptors

InChI

1S/C110H207N2O23P/c1-8-15-22-29-36-43-45-46-48-55-62-68-75-81-98(117)128-91(78-71-64-57-50-39-32-25-18-11-4)85-96(115)111-103-107(133-101(120)84-90(114)77-70-63-56-49-38-31-24-17-10-3)105(122)95(131-109(103)123)89-127-110-104(112-97(116)86-92(79-72-65-58-51-40-33-26-19-12-5)129-99(118)82-74-67-60-53-42-35-28-21-14-7)108(106(94(88-113)132-110)135-136(124,125)126)134-102(121)87-93(80-73-66-59-52-41-34-27-20-13-6)130-100(119)83-76-69-61-54-47-44-37-30-23-16-9-2/h90-95,103-110,113-114,122-123H,8-89H2,1-7H3,(H,111,115)(H,112,116)(H2,124,125,126)/t90-,91-,92-,93-,94+,95+,103+,104+,105+,106+,107+,108+,109-,110+/m0/s1

InChIKey

AJTUNRJTNFESSC-DPBDWXOKSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)O[C@@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)C[C@H](CCCCCCCCCCC)O