2-DEOXY-6-O-[2-DEOXY-2[(R)-3-(DODECANOYLOXY) TETRADECANOYLAMINO]-3-O-[(R)-3-(TETRADECANOYLOXY) TETRADECANOYL]-BETA-D-GLUCOPYRANOSYL]-3-O-[(R)-3-HYDROXYTETRADECANOYL]-2-[(R)-3-HYDROXYTETRADECANOYLAMINO]-ALPHA-D-GLUCOPYRANOSE 1,4'-DIPHOSPHATE TRIETHYLAMMONIUM FORM

CAS No.
CCD No.
CCD01000846
Formula
C118H238N6O25P2
MolWeight
2203.14

Basic Information

Product Name: 2-DEOXY-6-O-[2-DEOXY-2[(R)-3-(DODECANOYLOXY) TETRADECANOYLAMINO]-3-O-[(R)-3-(TETRADECANOYLOXY) TETRADECANOYL]-BETA-D-GLUCOPYRANOSYL]-3-O-[(R)-3-HYDROXYTETRADECANOYL]-2-[(R)-3-HYDROXYTETRADECANOYLAMINO]-ALPHA-D-GLUCOPYRANOSE 1,4'-DIPHOSPHATE TRIETHYLAMMONIUM FORM
English Synonyms: COMPOUND 506 ; 2-DEOXY-6-O-[2-DEOXY-2[(R)-3-(DODECANOYLOXY) TETRADECANOYLAMINO]-3-O-[(R)-3-(TETRADECANOYLOXY) TETRADECANOYL]-BETA-D-GLUCOPYRANOSYL]-3-O-[(R)-3-HYDROXYTETRADECANOYL]-2-[(R)-3-HYDROXYTETRADECANOYLAMINO]-ALPHA-D-GLUCOPYRANOSE 1,4'-DIPHOSPHATE TRIETHYLAMMONIUM FORM ; LIPID A (E COLI) TRIETHYLAMMONIUM FORM ; LA-15-PP
MDL Number.: MFCD11045234
H bond acceptor: 27
H bond donor: 10
Smile: CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(O)(O)=O
InChi: InChI=1S/C94H178N2O25P2.4C6H15N/c1-7-13-19-25-31-37-38-44-50-56-62-68-84(103)115-78(66-60-54-48-42-35-29-23-17-11-5)72-86(105)119-92-88(96-82(101)71-77(65-59-53-47-41-34-28-22-16-10-4)114-83(102)67-61-55-49-43-36-30-24-18-12-6)93(116-79(73-97)90(92)120-122(107,108)109)113-74-80-89(106)91(118-85(104)70-76(99)64-58-52-46-40-33-27-21-15-9-3)87(94(117-80)121-123(110,111)112)95-81(100)69-75(98)63-57-51-45-39-32-26-20-14-8-2;4*1-4-7(5-2)6-3/h75-80,87-94,97-99,106H,7-74H2,1-6H3,(H,95,100)(H,96,101)(H2,107,108,109)(H2,110,111,112);4*4-6H2,1-3H3/t75-,76-,77-,78-,79-,80-,87-,88-,89-,90-,91-,92-,93-,94-;;;;/m1..../s1
InChiKey: InChIKey=NDINPFAKSRKTTD-PJQCETSDSA-N

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