那塞罗

那塞罗 基本信息
CAS号 25999-31-9 分子式 C34H54O8
分子量 590.78800 精确质量 　590.38200
PSA 　133.52000 LogP 　5.84220
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等价的CAS号：

25999-31-9,87678-46-4,87678-48-6,87678-50-0,87725-61-9,107494-38-2,107494-39-3,107494-40-6,122741-75-7,150446-64-3
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目录
基本信息 物化性质 合成路线 毒性 结构与计算数据 上下游

基本信息 展开↓

CAS号：
25999-31-9
3D弹球模型：
立即前往扯扯看
分子式：
C34H54O8
分子量：
590.78800
中文名称：
那塞罗
英文名称：
Lasalocid
中文别名：
那塞罗;
拉沙里菌素
英文别名：
Lasalocid;
lasalocid acid;
lasalic acid
精确分子量/精确质量：
590.38200
极性分子表面积/PSA：
133.52000
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：
247-401-9
InChI：
The Key: BBMULGJBVDDDNI-PEIOXNINSA-N

物化性质展开↓

密度：
1.119g/cm3
沸点：
735.7ºC at 760mmHg
闪点：
224.8ºC
蒸汽压：
1.01E-22mmHg at 25°C

合成路线查看所有的合成路线

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    (2S)-2-((2S,3S,5R)-5-((2R,5S)-5-((1R)-Benzyloxymethoxyethyl)-5-ethyltetrahydrofur-2-yl)-5-((1E)-2-(4-methoxyphenyl)ethenyl)-3-methyltetrahydrofur-2-yl)butan-1-ol

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  • 25999-31-9

    那塞罗

  • 131927-94-1

    (2S)-2-[(2S,3S,5R)-5-[(2R,5R,6S)-5-Benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-3-methyltetrahydrofur-2-yl]butan-1-ol

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    那塞罗

  • 152934-45-7

    152934-45-7

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    那塞罗

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GP4000000
CHEMICAL NAME :
2,3-Cresotic acid, 6-(7-(5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl -2H-pyran-2-yl) tetrahydro-3-methyl-2-furyl)-4-hydroxy-3,5-dimethyl-6 -oxononyl)-, (-)-
CAS REGISTRY NUMBER :
25999-31-9
LAST UPDATED :
199706
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C34-H54-O8
MOLECULAR WEIGHT :
590.88
WISWESSER LINE NOTATION :
T6OTJ B1 CQ C2 F- ET5OTJ BY2&VY1&YQY1&2R CQ D1 BVQ& C1 E2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
122 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
VHTODE Veterinary and Human Toxicology. (American College of Veterinary and Comparative Toxicology, Publication Office, Comparative Toxicology, Manhattan, KS 66506) V.19- 1977- Volume(issue)/page/year: 26,322,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
146 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 5,502,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
40 mg/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: 1,809,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
VHTODE Veterinary and Human Toxicology. (American College of Veterinary and Comparative Toxicology, Publication Office, Comparative Toxicology, Manhattan, KS 66506) V.19- 1977- Volume(issue)/page/year: 26,322,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
72 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
VHTODE Veterinary and Human Toxicology. (American College of Veterinary and Comparative Toxicology, Publication Office, Comparative Toxicology, Manhattan, KS 66506) V.19- 1977- Volume(issue)/page/year: 26,322,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - domestic
DOSE/DURATION :
22 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
VHTODE Veterinary and Human Toxicology. (American College of Veterinary and Comparative Toxicology, Publication Office, Comparative Toxicology, Manhattan, KS 66506) V.19- 1977- Volume(issue)/page/year: 26,322,1984

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）:6.4

2.氢键供体数量:4

3.氢键受体数量:8

4.可旋转化学键数量:13

5.互变异构体数量:39

6.拓扑分子极性表面积:134

7.重原子数量:42

8.表面电荷:0

9.复杂度:910

10.同位素原子数量:0

11.确定原子立构中心数量:10

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:0

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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