Valinomycin（CAS号：2001-95-8）

缬氨霉素

基本信息

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CAS号

2001-95-8

分子式

C54H90N6O18

分子量

1111.3 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

186-190 °C

沸点

821.74°C (rough estimate)

水溶性

Soluble in DMSO at 10mg/ml. Insoluble in water

闪点

87℃

溶解度

DMSO: ≥10 mg/mL

折射率

1.6400 (estimate)

比旋光度

D20 +31.0° (c = 1.6 in benzene)

SMILES

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CC1C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)O1)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C

InChI

InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1

InChIKey

FCFNRCROJUBPLU-DNDCDFAISA-N

LogP

2.3433000000000073

拓扑极性表面积

332.4 Å²

氢键供体/受体

6 / 24

复杂度

1910

安全信息

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GHS危险象形图

H300

H310

危险说明

H300 吞咽致命
急性毒性-经口

H310 皮肤接触致命
急性毒性-经皮

危险类别

Class 6.1(a) Class 6.1(a)

同义词与引用数据

英文

valino
balinomycin
AKOS024457589
(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
NSC122023
UNII-N561YS75MN
HY-N6693
Q417504
IONOPHORE ANTIBIOTIC PRODUCED BY STREPTOMYCES FULVISSIMUS
DB14057
1,7,13,19,25,31-Hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane- 2,5,8,11,14,17,20,23,26,29,32,35-dodecone, 12,24,36-trimetyl-3,6,9,15,18,21,27,30,33-nonakis(1-methylethyl)-
NSC 122023
HSDB 6423
SR-05000002323-2
SR-05000002323
valinomycin
CCG-208283
BDBM50237619
CS-0029275
Potassium ionophore I - cocktail B, Selectophore(TM)
Antibiotic N-329 B
(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
NSC-122023
EINECS 217-896-6
4-27-00-09728 (Beilstein Handbook Reference)
cyclo[-D-O-Val-D-Val-L-O-Ala-L-Val]3
VALINOMYCIN [MI]
Cyclo(D-?-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-?-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-?-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl)
Cyclic(D-.alpha.-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-.alpha.-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-.alpha.-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl )
DTXSID9041150
CYCLIC(D-.ALPHA.-HYDROXYISOVALERYL-D-VALYL-L-LACTOYL-L-VALYL- D-.ALPHA.-HYDROXYISOVALERYL-D-VALYL-L-LACTOYL-L-VALYL-D-.ALPHA.- HYDROXYISOVALERYL-D-VALYL-L-LACTOYL-L-VALYL)