MONOPHOSPHORYL LIPID A

CAS No.
1246298-63-4
CCD No.
CCD00180063
Formula
C96 H181 N2 O21 P
MolWeight
1730.45

Basic Information

Product Name: MONOPHOSPHORYL LIPID A
CAS: 1246298-63-4
English Synonyms: MONOPHOSPHORYL LIPID A ; MPLA ; MPL ; PHAD(TM) ; MONOPHOSPHORYL LIPID A (SYNTHETIC) (PHAD™)
MDL Number.: MFCD00920789
H bond acceptor: 23
H bond donor: 8
Smile: CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)O
InChi: InChI=1S/C96H181N2O21P/c1-7-13-19-25-31-37-39-40-42-48-54-59-65-70-85(102)113-78(67-61-55-49-43-33-27-21-15-9-3)73-83(100)97-89-92(107)91(106)82(116-95(89)108)77-112-96-90(98-84(101)74-79(68-62-56-50-44-34-28-22-16-10-4)114-86(103)71-64-58-52-46-36-30-24-18-12-6)94(93(81(76-99)117-96)119-120(109,110)111)118-88(105)75-80(69-63-57-51-45-35-29-23-17-11-5)115-87(104)72-66-60-53-47-41-38-32-26-20-14-8-2/h78-82,89-96,99,106-108H,7-77H2,1-6H3,(H,97,100)(H,98,101)(H2,109,110,111)/t78?,79?,80?,81-,82-,89-,90-,91-,92-,93-,94-,95?,96-/m1/s1
InChiKey: InChIKey=OPGTXAUDXWCGFI-DXOTVIOKSA-N

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