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曲西立滨磷酸酯 基本信息
- 中文名称:
- 曲西立滨磷酸酯
- 中文别名:
- VQD-002 (TCN-P);
曲西立滨磷酸酯
- 英文名称:
- 1,4,5,6,8-Pentaazaacenaphthylen-3-amine,1,5-dihydro-5-methyl-1-(5-O-phosphono-b-D-ribofuranosyl)-
- 英文别名:
- TRICIRIBINE PHOSPHATE;
Triciribine phosphate (USAN);
Pentaazaacenaphthylene-5' phosphate ester;
VQD-002;
TCN-P
- CAS No.:
- 61966-08-3
- 分 子 式:
- C13H17N6O7P
- 分 子 量:
- 0
- 精确分子量:
- 400.09000
- PSA:
- 200.81000
- 分子结构式:
-
- SDS:
- 查看
曲西立滨磷酸酯 物化性质
- 密度:
- 2.23g/cm3
- 沸点:
- 832.8ºC at 760 mmHg
- 闪点:
- 457.4ºC
- 折射率:
- 1.924
曲西立滨磷酸酯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RY8450000
- CHEMICAL NAME :
- 1,4,5,6,8-Pentaazaacenaphthylen-3-amine,
1,5-dihydro-5-methyl-1-(5-O-phosphono-beta-D-
ribofuranosyl)-
- CAS REGISTRY NUMBER :
- 61966-08-3
- LAST UPDATED :
- 198605
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C13-H17-N6-O7-P
- MOLECULAR WEIGHT :
- 400.33
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 193 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NCISP* National Cancer Institute Screening Program Data Summary,
Developmental Therapeutics Program. (Bethesda, MD 20205)
Volume(issue)/page/year: JAN1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 109 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NCISP* National Cancer Institute Screening Program Data Summary,
Developmental Therapeutics Program. (Bethesda, MD 20205)
Volume(issue)/page/year: JAN1986
曲西立滨磷酸酯 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):-3.3
2.氢键供体数量:5
3.氢键受体数量:11
4.可旋转化学键数量:4
5.互变异构体数量:2
6.拓扑分子极性表面积:189
7.重原子数量:27
8.表面电荷:0
9.复杂度:663
10.同位素原子数量:0
11.确定原子立构中心数量:4
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