阿维菌素

阿维菌素 基本信息
CAS号 65195-55-3 分子式 C48H72O14
分子量 873.07700 精确质量  872.49200
PSA  170.06000 LogP  5.37740

等价的CAS号:

65195-55-3,106434-14-4,113665-88-6,113665-89-7,131483-64-2,135556-35-3,135556-38-6,135681-09-3,144068-48-4

基本信息 展开↓

CAS号:
65195-55-3
3D弹球模型:
立即前往扯扯看
分子式:
C48H72O14
分子量:
873.07700
中文名称:
阿维菌素
英文名称:
avermectin B1a
中文别名:
阿维菌素;
阿维菌素B1a;
阿巴汀
英文别名:
avermectin B1a;
22,23-dihydroavermectinh B1a;
abamectin component B1a;
Avermectin B(1)a;
Abamectin komponente B1a;
Vertimec(R)018SC;
AVERMECTIN B1A;
Antibiotic C 076B1a;
Abamectina [Spanish];
[3H]-Abamectin B1a;
Abamectine [French];
Caswell No. 063AB;
Abamectinum [Latin]
精确分子量/精确质量:
872.49200
极性分子表面积/PSA:
170.06000
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。
EINECS:
265-610-3
InChI:
The Key: RRZXIRBKKLTSOM-RDKIRRGNSA-N

物化性质展开↓

外观与性状:
白色结晶粉末
密度:
1.24 g/cm3
熔点:
157-162ºC
沸点:
940.9ºC at 760 mmHg
闪点:
268.1ºC
折射率:
1.571
存储条件/存储方法:
通风低温干燥

安全信息展开↓

包装等级:
II
风险类别:
6.1(a)
海关代码:
2932999099

合成路线查看所有的合成路线

  • 106544-70-1

    106544-70-1

  • ~90%

  • 65195-55-3

    阿维菌素

  • 71826-88-5

    71826-88-5

  • ~87%

  • 65195-55-3

    阿维菌素

  • 81924-42-7

    4'',5-di-O-tert-butyldimethylsilyl-22,23-dihydroavermectin B1

  • ~69%

  • 65195-55-3

    阿维菌素

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CL1200000
CHEMICAL NAME :
Avermectin A1a, 5-O-demethyl-
CAS REGISTRY NUMBER :
65195-55-3
LAST UPDATED :
199706
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C48-H72-O14
MOLECULAR WEIGHT :
873.20

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD20 - Lethal Dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 32,94,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 32,94,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
19 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 42,1786,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 32,94,1984

海关数据查看详细

中国海关编码:2932999099

概述:
2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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):3.8

2.氢键供体数量:3

3.氢键受体数量:14

4.可旋转化学键数量:8

5.互变异构体数量:无

6.拓扑分子极性表面积:170

7.重原子数量:62

8.表面电荷:0

9.复杂度:1730

10.同位素原子数量:0

11.确定原子立构中心数量:20

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:3

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

上下游相关产品

上游产品

更多
  • 81924-42-7

    4'',5-di-O-tert-butyldimethylsilyl-22,23-dihydroavermectin B1

  • 106544-70-1

    CAS号:106544-70-1

  • 65195-55-3

    阿维菌素

  • 71826-88-5

    CAS号:71826-88-5

  • 87319-06-0

    (3S,4R,5S)-3,5-dimethylhept-1-yn-4-ol

下游产品

更多
  • 65195-55-3

    阿维菌素

  • 110415-68-4

    Δ2-4(R)-avermectin B1a

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便