Monensin（CAS号：17090-79-8）

莫能菌素

基本信息

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CAS号

17090-79-8

分子式

C36H62O11

分子量

670.88 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品表面活性剂阴离子表面活性剂

聚合物和塑料热塑性塑料聚烯烃

实验室化学品科研化学品生化试剂

基本物理性质

熔点

103-105°C

沸点

608.24°C (rough estimate)

折射率

1.5465 (estimate)

比旋光度

D +47.7°

SMILES

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CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C

InChI

InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1

InChIKey

GAOZTHIDHYLHMS-KEOBGNEYSA-N

LogP

4.272900000000004

pKa

6.6 (in 66% DMF)

拓扑极性表面积

153.37 Å²

氢键供体/受体

4 / 11

复杂度

1110

安全信息

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危险类别

Class 6.1(a) Class 6.1(a)

毒性

LD50 of monensin complex in mice, chicks (mg/kg): 43.8 ± 5.2, 284 ± 47 orally (Haney, Hoehn)

同义词与引用数据

英文

NS00000169
Monensin Granulated
E714
Coban 90
MONENSIN [USP IMPURITY]
Monensin (INN)
DB11430
ATCC 15413
Elancoban [veterinary] (TN)
4-(2-(2-ETHYL-3'-METHYL-5'-(TETRAHYDRO-6-HYDROXY-6-HYDROXYMETHYL-3,5-DIMETHYLPYRAN-2-YL)PERHYDRO-2,2'-BIFURAN-5-YL)-9-HYDROXY-2,8-DIMETHYL-1,6-DIOXASPIRO(4.5)DEC-7-YL)3-METHOXY-2-METHYLPENTANOIC ACID
2-(2-ETHYLOCTAHYDRO-3'-METHYL-5'-(TETRAHYDRO-6-HYDROXY-6-(HYDROXYMETHYL)-3,5-DIMETHYL-2H-PYRAN-2-YL)(2,2'-BIFURAN-5-YL))-9-HYDROXY-.BETA.-METHOXY-.ALPHA.,.GAMMA.,2,8-TETRAMETHYL-1,6-DIOXASPIRO(4.5)DECAN-7-BUTANOIC ACID
UNII-906O0YJ6ZP
MONENSIN [HSDB]
NSC343257
1,6-Dioxaspiro(4.5)decane-7-butyric acid, 2-(5-ethyltetrahydro-5-(tetrahydro-3-methyl-5-(tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl)-2-furyl)-2-furyl)-9-hydroxy-beta-methoxy-alpha,gamma,2,8-tetramethyl-
2-(2-ETHYLOCTAHYDRO-3'-METHYL-5'-(TETRAHYDRO-6-HYDROXY-6-(HYDROXYMETHYL)-3,5-DIMETHYL-2H-PYRAN-2-YL)(2,2'-BIFURAN-5-YL))-9-HYDROXY-beta-METHOXY-alpha,gamma,2,8-TETRAMETHYL-1,6-DIOXASPIRO(4.5)DECAN-7-BUTANOIC ACID
Lilly 673140
Monensine
Rumensin
(2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-{(2S,2'R,3'S,5R,5'R)-2-ethyl-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-3'-methyloctahydro-2,2'-bifuran-5-yl}-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl]-3-methoxy-2-methylpentanoic acid
CycleGuard and Monovet
SR-05000013702-2
DTXCID7028190
MONENSIN [INN]
Monensinum
monensin
(2S,3R,4S)-4-[(3S,5R,7S,8R,9S)-3-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methyl-pentanoic acid
MONENSIN (USP IMPURITY)
monensin A
SCHEMBL55367
Rumensin 90