Name: A 113
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318876
Cas No:149118-02-5
常用名:A 113
别名:A-113
IUPAC:{[(2R,3S,4R,5R)-1,2-dihydroxy-6-oxo-5-[(3R)-3-(tetradecanoyloxy)tetradecanamido]-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}hexan-3-yl]oxy}phosphonic acid
IUPAC:{[(2R,3S,4R,5R)-1,2-dihydroxy-6-oxo-5-[(3R)-3-(tetradecanoyloxy)tetradecanamido]-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}hexan-3-yl]oxy}phosphonic acid
InChI key:BAVUZJNXMVFZBJ-WMFSLQSISA-N

分子式:C62H118NO14P
分子量:1132.593
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H](C=O)[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](OP(O)(O)=O)[C@H](O)CO
SMILES:CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H](C=O)[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](OP(O)(O)=O)[C@H](O)CO

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