cas号： 35891-70-4 ，名称：嗜热菌杀酵母素的性质/作用/用途-化学加百科

嗜热菌杀酵母素

嗜热菌杀酵母素基本信息
CAS号	35891-70-4	分子式	C21H39NO6
分子量	401.53700	精确质量	401.27800
PSA	141.08000	LogP	3.00930

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等价的CAS号：

35891-70-4,128440-98-2,139492-74-3

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基本信息物化性质安全信息合成路线毒性结构与计算数据上下游

基本信息展开↓

CAS号：: 35891-70-4
3D弹球模型：: 立即前往扯扯看
分子式：: C21H39NO6
分子量：: 401.53700
中文名称：: 嗜热菌杀酵母素
英文名称：: myriocin
中文别名：: 嗜热菌杀酵母素;
多球壳菌素
英文别名：: myriocin;
Myriocin from Mycelia sterilia;
thermozymocidin;
ISP-I;
Myriocin,Mycelia sterilia;
ISP-1;
(E,2S,3R,4R)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid;
Myriocin
精确分子量/精确质量：: 401.27800
极性分子表面积/PSA：: 141.08000
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。
贝尔斯坦号/MDL：: MFCD01632772
PubChem：: 24896622
InChI：: The Key: ZZIKIHCNFWXKDY-FMIVXFBMSA-N

物化性质展开↓

密度：: 1.123g/cm3
沸点：: 636.7ºC at 760 mmHg
闪点：: 338.8ºC
折射率：: 1.521

安全信息展开↓

危险类别码：: 22
危险标志：: Xi; Xn

合成路线查看所有的合成路线

37818-01-2

(2S,3R,4R)-2-acetamido-3-acetoxy-2-acetoxymethyl-4-[(E)-10'-oxohexadec-2'-en-1'-yl]-4-butanolide
→

~87%
35891-70-4

嗜热菌杀酵母素

158356-12-8

158356-12-8
→

~82%
35891-70-4

嗜热菌杀酵母素

475291-29-3

475291-29-3
→

~79%
35891-70-4

嗜热菌杀酵母素

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: JX3890000

CHEMICAL NAME :: 6-Eicosenoic acid, 2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-, (2S-(2R*,3S*,4S*,6E))-

CAS REGISTRY NUMBER :: 35891-70-4

LAST UPDATED :: 198910

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C21-H39-N-O6

MOLECULAR WEIGHT :: 401.61

WISWESSER LINE NOTATION :: Q1XZVQYQYQ2U7V6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 25,109,1972

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 25,109,1972

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 25,109,1972

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 250 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85ERAY "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978 Volume(issue)/page/year: 3,2067,1978

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:-0.1

2.氢键供体数量:5

3.氢键受体数量:7

4.可旋转化学键数量:18

5.互变异构体数量:3

6.拓扑分子极性表面积141

7.重原子数量:28

8.表面电荷:0

9.复杂度:468

10.同位素原子数量:0

11.确定原子立构中心数量:3

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:1

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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