Benzoic acid,2-hydroxy-6-methyl-,[(1S,2R,3R,4S,5S)-5-[(3-acetylphenyl)amino]-4-amino-3-[[(dimethylamino)carbonyl]amino]-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]methylester

Benzoic acid,2-hydroxy-6-methyl-,[(1S,2R,3R,4S,5S)-5-[(3-acetylphenyl)amino]-4-amino-3-[[(dimethylamino)carbonyl]amino]-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]methylester 基本信息
CAS号 23668-11-3 分子式 C28H38N4O8
分子量 558.62300 精确质量 　558.26900
PSA 　194.68000 LogP 　1.91870
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目录
基本信息 物化性质 毒性

基本信息 展开↓

CAS号：
23668-11-3
3D弹球模型：
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分子式：
C28H38N4O8
分子量：
558.62300
英文名称：
Benzoic acid,2-hydroxy-6-methyl-,[(1S,2R,3R,4S,5S)-5-[(3-acetylphenyl)amino]-4-amino-3-[[(dimethylamino)carbonyl]amino]-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]methylester
英文别名：
Benzoic acid,2-hydroxy-6-methyl-,[(1S,2R,3R,4S,5S)-5-[(3-acetylphenyl)amino]-4-amino-3-[[(dimethylamino)carbonyl]amino]-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]methylester;
Pactamycin
精确分子量/精确质量：
558.26900
极性分子表面积/PSA：
194.68000
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。
InChI：
The Key: WVIUOSJLUCTGFK-JUJPXXQGSA-N

物化性质展开↓

密度：
1.38g/cm3
沸点：
784.2ºC at 760mmHg
闪点：
428.1ºC
折射率：
1.645
蒸汽压：
6.66E-26mmHg at 25°C

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RT0790000
CHEMICAL NAME :
Pactamycin
CAS REGISTRY NUMBER :
23668-11-3
LAST UPDATED :
199504
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C28-H38-N4-O8
MOLECULAR WEIGHT :
558.70
WISWESSER LINE NOTATION :
L5TJ AYQ1 AMVN1&1 BQ B1OVR CQ F1& CQ C1 DMR CV1& EZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1400 ug/kg
TOXIC EFFECTS :
Behavioral - food intake (animal) Gastrointestinal - other changes Liver - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
14 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
15600 ug/kg
TOXIC EFFECTS :
Behavioral - food intake (animal) Gastrointestinal - other changes Liver - other changes
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
750 ug/kg
TOXIC EFFECTS :
Behavioral - food intake (animal) Gastrointestinal - other changes Liver - other changes

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
6 mg/kg
REFERENCE :
RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD Pub. Ltd., P.O. Box 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 11,311,1975 *** REVIEWS *** TOXICOLOGY REVIEW CRTXB2 CRC Critical Reviews in Toxicology. (CRC Press, Inc., 2000 Corporate Blvd., NW, Boca Raton, FL 33431) V.1- 1971- Volume(issue)/page/year: 2,159,1973
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