31-(triethylsilylether)rapamycin | 179076-04-1

分子结构分类

有机化合物 - 苯丙烷和聚酮 - 大环内酯内酰胺

中文名称

——

中文别名

——

英文名称

31-(triethylsilylether)rapamycin

英文别名

28-O-TES rapamycin；rapamycin 31-O-triethylsilyl ether；(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1-hydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-18-triethylsilyloxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

CAS

179076-04-1

化学式

C₅₇H₉₃NO₁₃Si

mdl

——

分子量

1028.45

InChiKey

SBNXYQFJAIANRZ-GDZDOCPXSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

980.6±75.0 °C(Predicted)
密度：

1.12±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

9.21
重原子数：

72
可旋转键数：

11
环数：

4.0
sp3杂化的碳原子比例：

0.77
拓扑面积：

184
氢给体数：

2
氢受体数：

13

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-27-hydroxy-10,21-dimethoxy-3-((R)-1-((1S,3R,4R)-3-methoxy-4-((triethylsilyl)oxy)cyclohexyl)propan-2-yl)-6,8,12,14,20,26-hexamethyl-9-((triethylsilyl)oxy)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1]oxa[4]azacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentaone	155435-45-3	C₆₃H₁₀₇NO₁₃Si₂	1142.71
——	31-(trimethylsilylether)rapamycin	331810-10-7	C₅₄H₈₇NO₁₃Si	986.369
——	31,42-bis(trimethylsilylether)rapamycin	331810-13-0	C₅₇H₉₅NO₁₃Si₂	1058.55
雷帕霉素	sirolimus	53123-88-9	C₅₁H₇₉NO₁₃	914.187

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	6-(1-hydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-18-triethylsilanyloxy-11,36-dioxa-4-aza-tricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl)-4-(2-hydroxy-ethyl)-heptanoic acid methyl ester	223916-28-7	C₅₇H₉₃NO₁₄Si	1044.45
——	6-(1-hydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-18-triethylsilanyloxy-11,36-dioxa-4-aza-tricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl)-4-(2-oxo-ethyl)-heptanoic acid	223916-27-6	C₅₆H₈₉NO₁₄Si	1028.41
——	1-hydroxy-19,30-dimethoxy-12-[2-(2-methoxy-7-oxo-oxepan-4-yl)-1-methyl-ethyl]-15,17,21,23,29,35-hexamethyl-18-triethylsilanyloxy-11,36-dioxa-4-aza-tricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone	223916-26-5	C₅₇H₉₁NO₁₄Si	1042.43
——	[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1-hydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-18-triethylsilyloxy-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 2,2,5-trimethyl-1,3-dioxane-5-carboxylate	1246021-94-2	C₆₅H₁₀₅NO₁₆Si	1184.63
42-(二甲基亚膦酰)雷帕霉素	Ridaforolimus	572924-54-0	C₅₃H₈₄NO₁₄P	990.222