- 中文别名：多球壳菌素
- 中文释义：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 - cas No.：35891-70-4
- 分子式：C21H39NO6
- 分子量：401.54
- 精确分子量：401.27800
- PSA：141.08000
- MDL：MFCD01632772
- InChI：The Key: ZZIKIHCNFWXKDY-FMIVXFBMSA-N
- 分子结构式：
物化性质
- 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
- 密度：
- 1.123g/cm3
- 沸点：
- 636.7ºC at 760 mmHg
- 闪点：
- 338.8ºC
- 折射率：
- 1.521
毒理性
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
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