chlorothricin（CAS号：34707-92-1）

氯丝菌素

基本信息

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CAS号

34707-92-1

分子式

C50H63ClO16

分子量

955.49 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酯类

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

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

农用化学品农药除草剂

实验室化学品科研化学品生化试剂

基本物理性质

熔点

206-207°

SMILES

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CC1CC23C(C=CCCCCC4C=CC5C(C4(C(=O)OC(=C2O)C(=O)O3)C)CCCC5OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC(=O)C8=C(C=CC(=C8C)Cl)OC)O)C=C1C(=O)O

InChI

InChI=1S/C50H63ClO16/c1-24-23-50-29(20-31(24)45(55)56)13-10-8-7-9-12-28-16-17-30-32(49(28,5)48(59)66-43(44(50)54)47(58)67-50)14-11-15-35(30)63-38-21-34(52)42(27(4)62-38)65-39-22-37(41(53)26(3)61-39)64-46(57)40-25(2)33(51)18-19-36(40)60-6/h10,13,16-20,24,26-30,32,34-35,37-39,41-42,52-54H,7-9,11-12,14-15,21-23H2,1-6H3,(H,55,56)/b13-10+/t24-,26-,27-,28-,29-,30+,32-,34-,35+,37-,38+,39+,41-,42-,49-,50+/m1/s1

InChIKey

WUXHQHDSSKBJFH-DELKKKATSA-N

LogP

6.958620000000008

pKa

pK: 5.01, 7.91(at 25℃)

拓扑极性表面积

223.03999999999996 Å²

氢键供体/受体

4 / 16

复杂度

2000

同义词与引用数据

英文

Chlorothricin
(1S,3R,6R,7Z,13R,16S,17S,21R,22R)-17-[(2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-(3-Chloro-6-methoxy-2-methylbenzoyl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.01,6.013,22.016,21]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid
34707-92-1
HY-125552
18H-16a,19-Metheno-16aH-benzo[e]naphtho[2,1-m][1,4]dioxacyclopentadecin-14-carboxylicacid, 4-[[4-O-[3-O-(3-chloro-6-methoxy-2-methylbenzoyl)-2,6-dideoxy-b-D-arabino-hexopyranosyl]-2,6-dideoxy-b-D-arabino-hexopyranosyl]oxy]-1,2,3,4,4a,6a,7,8,9,10,12a,15,16,21,21a,21b-hexadecahydro-22-hydroxy-15,21a-dimethyl-18,21-dioxo-,(4S,4aS,6aR,11E,12aR,15R,16aS,21aR,21bR)-
18H-16a,19-Metheno-16aH-benzo[e]naphtho[2,1-m][1,4]dioxacyclopentadecin-14-carboxylicacid, 4-[...
18H-16a,19-Metheno-16aH-benzo[e]naphtho[2,1-m][1,4]dioxacyclopentadecin-14-carboxylicacid, 4-[[4-O-[3-O-(3-chloro-6-methoxy-2-methylbenzoyl)-2,6-dideoxy-b-D-arabino-hexopyranosyl]-2,6-dideoxy-b-D-arab
CHLOROTHRICIN
6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide,1,1-dioxide
Chlorosal
Chlorothiazid
chlorothiazide
Chlorthiazide
Chlortiazid
Chlorurit
Chlotride
Clotride
Diuresal
Diuril