Name: Monophosphoryl Lipid A-12 free acid
Rating: 5 (10 reviews)

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HIT ID:HIT219136935
Cas No:88598-53-2
常用名:Monophosphoryl Lipid A-12 free acid
常用名:Monophosphoryl Lipid A-12 free acid
别名:MPLA-12 free acid
IUPAC:{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6S)-3,6-dihydroxy-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-2-yl]methoxy}-5-[(3R)-3-(dodecanoyloxy)tetradecanamido]-2-(hydroxymethyl)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-3-yl]oxy}phosphonic acid
IUPAC:{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6S)-3,6-dihydroxy-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-2-yl]methoxy}-5-[(3R)-3-(dodecanoyloxy)tetradecanamido]-2-(hydroxymethyl)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-3-yl]oxy}phosphonic acid
InChI key:YGPZYYDTPXVBRA-RTDBHSBRSA-N

分子式:C94H177N2O22P
分子量:1718.416
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES: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](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
SMILES: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](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

Monophosphoryl Lipid A-12 free acid，作为一个toll-like receptor4激动剂，主要应用于免疫和疫苗研究领域。该化合物以Monophosphoryl Lipid A-12 (free acid)的形式活跃于相关生物医学研究中。

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