Name: Compound TN12859
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212524126
Cas No:1427087-16-8
常用名:Compound TN12859
别名:16-{[(2R,3R,4R,5S,6R)-6-[(acetyloxy)methyl]-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-hydroxyoctanoyl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-2,15-dihydroxyhexadecanoic acid
别名:16-{[(2R,3R,4R,5S,6R)-6-[(acetyloxy)methyl]-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-hydroxyoctanoyl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-2,15-dihydroxyhexadecanoic acid
IUPAC:16-{[(2R,3R,4R,5S,6R)-6-[(acetyloxy)methyl]-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-hydroxyoctanoyl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-2,15-dihydroxyhexadecanoic acid
IUPAC:16-{[(2R,3R,4R,5S,6R)-6-[(acetyloxy)methyl]-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-hydroxyoctanoyl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-2,15-dihydroxyhexadecanoic acid
InChI key:WJVDOWMVOUHIRL-STTPTKEGSA-N

分子式:C38H68O18
分子量:812.944
氢键供体数 (HBD):9
氢键受体数 (HBA):16
LogP:1.907
SMILES:CCCCCC(O)CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](COC(C)=O)O[C@@H](OCC(O)CCCCCCCCCCCCC(O)C(O)=O)[C@H](O)[C@H]1O
SMILES:CCCCCC(O)CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](COC(C)=O)O[C@@H](OCC(O)CCCCCCCCCCCCC(O)C(O)=O)[C@H](O)[C@H]1O

16-{[(2R,3R,4R,5S,6R)-6-[(acetyloxy)methyl]-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-hydroxyoctanoyl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-2,15-dihydroxyhexadecanoic acid是一种高纯度生化试剂，可用于生物化学实验和药物合成研究。

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