棘白菌素 B

棘白菌素 B 基本信息
CAS号 79411-15-7 分子式 C34H51N7O15
分子量 797.80700 精确质量  797.34400
PSA  379.07000 LogP  -5.62170

基本信息 展开↓

CAS号:
79411-15-7
分子式:
C34H51N7O15
分子量:
797.80700
中文名称:
棘白菌素 B
英文名称:
79411-15-7
中文别名:
棘白菌素 B;
棘白菌素B
英文别名:
79411-15-7;
1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosine-5,8,14,19,22,25(9H,25aH)-hexone, 9-amino-23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]hexadecahydro-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methyl-;
9-Amino-23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methylhexadecahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosine-5,8,14,19,22,25(9H,25aH)-hexone;
Echinocandin B;
Pyrrolidine-2-carboxylic acid methylester hydrochloride;
H-Dl-Pro-Ome Hcl;
Methyl pyrrolidine-2-carboxylate hydrochloride;
Proline, methyl ester,hydrochloride (1:1);
1-BOC-4-PIPERIDONE;
1-N-BOC-4-PIPERIDONE;
1-PIPERIDINECARBOXYLIC ACID, 4-OXO-, 1,1-DIMETHYLETHYL ESTER;
1-TERT-BUTOXYCARBONYL-PIPERIDIN-4-ONE;
1-(TERT-BUTOXYCARBONYL)-4-PIPERIDONE;
1-T-BOC-4-PIPERIDONE;
4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;
TIMTEC-BB SBB008535;
RARECHEM AH CK 0062;
TERT-BUTYL 4-OXOPIPERIDINE-1-CARBOXYLATE;
TERT-BUTYL 4-OXOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE;
N-tert Boc-4-Pipe
精确分子量/精确质量:
797.34400
极性分子表面积/PSA:
379.07000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C34H51N7O15/c1-12-10-41-24(25(12)47)32(54)39-30(52)20(46)9-18(35)28(50)36-21(13(2)42)33(55)40-11-17(45)8-19(40)29(51)38-23(31(53)37-22(14(3)43)34(41)56)27(49)26(48)15-4-6-16(44)7-5-15/h4-7,12-14,17-27,30,42-49,52H,8-11,35H2,1-3H3,(H,36,50)(H,37,53

物化性质展开↓

密度:
1.6
沸点:
1330.8ºC at 760 mmHg
闪点:
758.6ºC
折射率:
1.689
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