5,5-二羟基全氢化PYRIMIDINETRIONE(翻译) | 3237-50-1
中文名称:
5,5-二羟基全氢化PYRIMIDINETRIONE(翻译)
英文名称:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-dihydroxy-
CAS No.:
3237-50-1
分子式:
C4 H4 N2 O5
分子量:
160.08500
名称和标识符
InChIKey
ZIIHZVKHFWOENY-UHFFFAOYSA-N
Inchi
InChI=1S/C4H4N2O5/c7-1-4(10,11)2(8)6-3(9)5-1/h10-11H,(H2,5,6,7,8,9)
SMILES
O=C1NC(=O)C(O)(O)C(=O)N1
别名信息
- 中文别名 -
5,5-二羟基全氢化PYRIMIDINETRIONE(翻译)
- 英文别名 -
2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-dihydroxy-
5,5-dihydroxy-1,3-diazinane-2,4,6-trione
5,5-DIHYDROXY-HEXAHYDRO-PYRIMIDINE-2,4,6-TRIONE
5,5-Dihydroxyperhydropyrimidinetrione
5,5-dihydroxy-pyrimidine-2,4,6-trione
Alloxan hydrate
alloxan monohydrate
alloxane hydrate
Barbituric acid,5,5-dihydroxy
EINECS 221-796-8
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-
NSC221304
DTXSID9024435
InChI=1/C4H4N2O5/c7-1-4(10,11)2(8)6-3(9)5-1/h10-11H,(H2,5,6,7,8,9)
CCRIS 5957
Mesoxalylurea monohydrate
FT-0621989
Z1201617722
O2AAP9F8B6
NSC 221304
EN300-373812
alloxane monohydrate
5,5-Dihydroxy-2,4,6(1H,3H,5H)-pyrimidinetrione #
5,5-dihydroxypyrimidine-2,4,6(1H,3H,5H)-trione
Mesoxalylcarbamide monohydrate
2,5,6(1H,3H)-Pyrimidinetetrone, monohydrate
NSC-221304
ZIIHZVKHFWOENY-UHFFFAOYSA-
BRN 0155548
AKOS006230571
Barbituric acid, 5,5-dihydroxy-
2,5,6(1H,3H)-Pyrimidinetetrone hydrate
CHEMBL172218
ZIIHZVKHFWOENY-UHFFFAOYSA-N
NS00046413
2,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-
5-24-09-00382 (Beilstein Handbook Reference)
5,5-Dihydroxybarbituric acid
UNII-O2AAP9F8B6
SCHEMBL18132316
5,5-Dihydroxy-2,4,6(1H,3H,5H)-pyrimidinetrione
SCHEMBL472442
2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate
Barbituric acid,5-dihydroxy-
3237-50-1
alloxanmonohydrat
Q27285233
A821251
物化性质
实验特性
LogP
-2.30910
PSA
115.73000
折射率
1.4610 (estimate)
沸点
285.94°C (rough estimate)
密度
1.8517 (rough estimate)
计算特性
精确分子量
160.01200
氢键供体数量
4
氢键受体数量
5
可旋转化学键数量
0
同位素质量
160.01202123g/mol
重原子数量
11
复杂度
223
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
-2.5
拓扑分子极性表面积
116Ų
海关数据
海关编码
2933540000
海关数据
中国海关编码:
2933540000
概述:
2933540000 其他丙二酰脲(巴比土酸)的衍生物以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933540000 other derivatives of malonylurea (barbituric acid); salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%
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