4S,5R-顺-4,5-二苯基-2-噁唑烷酮 | 23204-70-8
4S,5R-顺-4,5-二苯基-2-噁唑烷酮
(4S,5R)-(-)-cis-Diphenyl-2-oxazolidinone
23204-70-8
C15H13NO2
239.26922
名称和标识符
MDL |
MFCD00799526 |
InChIKey |
LTENIVFVXMCOQI-UONOGXRCSA-N |
Inchi |
InChI=1S/C15H13NO2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,13-14H,(H,16,17)/t13-,14+/m0/s1 |
SMILES |
O=C1N[C@H]([C@H](O1)C2=CC=CC=C2)C3=CC=CC=C3 |
别名信息
- 中文别名 -
- (4S,5r)-(-)-顺式-4,5-二苯基-2-噁唑烷酮
- (4S,5R)-(?)-顺-4,5-二苯基-2-噁唑烷酮
- 4S,5R-顺-4,5-二苯基-2-噁唑烷酮
- 英文别名 -
- 2-Oxazolidinone,4,5-diphenyl-, (4S,5R)-
- (4S,5R)-(-)-Cis-4,5-Diphenyl-2-Oxazolidinone
- (4S,5R)-(-)-cis-Diphenyl-2-oxazolidinone
- (DIPHENYLPHOSPHINO)METHANYL THIOLACETATE (DIPHENYLPHOSPHINO)METHANETHIOL PRECURSOR)""
- (4S,5R)-cis-4,5-Diphenyloxazolidin-2-one
- LTENIVFVXMCOQI-UONOGXRCSA-N
- YAA20470
- 19202-66-5
- (4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
- (4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone, 98%
- 4,5-cis-Diphenyl-2-oxooxazolidine
- (4S,5R)-4,5-Diphenyl-1,3-oxazolidin-2-one
- 2-Oxazolidinone, 4,5-diphenyl-, (4S,5R)-
- SCHEMBL1443275
- cis-4,5-Diphenyl-2-Oxazolidinone
- DTXSID70431963
- rel-(4R*,5S*)-4,5-Diphenyloxazolidine-2-one
- (4S,5R)-4,5-diphenyl-oxazolidin-2-one
- (4S,5R)-4,5-diphenyl-2-oxazolidinone
- MFCD00799526
- (4S,5R)-4,5-diphenyloxazolidin-2-one
- 23204-70-8
- J-015031
- (4S, 5R)-4, 5-diphenyl-1, 3-oxazolidin-2-one
- A878305
- (4S,5R)-(')-cis-4,5-Diphenyl-2-oxazolidinone
- AS-43482
- AKOS016842848
物化性质
实验特性
LogP |
3.53760 |
PSA |
38.33000 |
折射率 |
1.591 |
沸点 |
466.6±45.0 °C at 760 mmHg |
熔点 |
227-232 °C (lit.) |
蒸气压 |
No data available |
闪点 |
236.0±28.7 °C |
颜色与性状 |
未确定 |
溶解性 |
未确定 |
光学活性 |
[α]23/D −57±4°, c = 2 in chloroform (or methanol) |
密度 |
1.2±0.1 g/cm3 |
计算特性
精确分子量 |
239.09500 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
2 |
同位素质量 |
239.094628657g/mol |
重原子数量 |
18 |
复杂度 |
293 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
2 |
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) |
2.8 |
互变异构体数量 |
2 |
表面电荷 |
0 |
拓扑分子极性表面积 |
38.3Ų |
海关数据
海关编码 |
2934999090 |
海关数据 |
中国海关编码:
2934999090
概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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