HCID5284616

Sirolimus

(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

C51H79NO13914.2 g/molCAS 53123-88-9

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IDENTITY

结构与身份

标准SMILES: CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
InChIKey: QFJCIRLUMZQUOT-HPLJOQBZSA-N
分子式: C51H79NO13
平均分子量: 914.2 g/mol
单同位素质量: 913.55514157

COMPUTED

结构计算性质

等待补全

XLogP: 6
极性表面积: 195 Å²
氢键供体: 3
氢键受体: 13
可旋转键: 6
重原子: 65
形式电荷: 0
复杂度: 1,760

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 161 条

rapamycinSirolimus(-)-Rapamycin53123-88-9RapamunerapalimusAY-22989WY-090217FYARROHYFTORsirolimusumNpc-12gAntibiotic AY 22989RAPARapammuneSILA 9268AW36ZG6FT64L04AA10NSC-226080CHEBI:9168

REACTIONS

参与反应

22 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05728710

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091213B2

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434744B2

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07872122B2

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07872122B2

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uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07175854B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08754207B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08754207B2

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