2-乙酰氨基-1,4-亚氨基-1,2,4-三脱氧-L-阿拉伯糖醇 | 944329-24-2
2-乙酰氨基-1,4-亚氨基-1,2,4-三脱氧-L-阿拉伯糖醇
2-AcetaMido-1,4-iMino-1,2,4-trideoxy-L-arabinitol
944329-24-2
C7H14N2O3
174.19766
名称和标识符
InChIKey |
CIBNSHFFZNRICG-LYFYHCNISA-N |
Inchi |
InChI=1S/C7H14N2O3/c1-4(11)9-5-2-8-6(3-10)7(5)12/h5-8,10,12H,2-3H2,1H3,(H,9,11)/t5-,6-,7+/m0/s1 |
SMILES |
CC(=O)NC1CNC(C1O)CO |
别名信息
- 中文别名 -
- 2-乙酰氨基-1,4-亚氨基-1,2,4-三脱氧-L-阿拉伯糖醇
- 英文别名 -
- 2-AcetaMido-1,4-iMino-1,2,4-trideoxy-L-arabinitol
- LABNAc
- N-[(3S,4R,5S)-4-Hydroxy-5-(hydroxyMethyl)-3-pyrrolidinyl]acetaMide
- N-[(3R,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide
- 944329-24-2
- 944329-24-2
- CHEMBL2333321
- 944329-24-2
- CHEMBL2333321
- N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide
- CHEMBL2333321
- N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide
- BDBM189853
- N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide
- BDBM189853
- N-((3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl)acetamide
- BDBM189853
- N-((3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl)acetamide
- US9670195, Table 4.1
- N-((3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl)acetamide
- US9670195, Table 4.1
- SCHEMBL15574725
- US9670195, Table 4.1
- SCHEMBL15574725
- 2-Acetamido-1,4-imino-1,2,4-trideoxy-L-arabinitol
- SCHEMBL15574725
- 2-Acetamido-1,4-imino-1,2,4-trideoxy-L-arabinitol
- CIBNSHFFZNRICG-LYFYHCNISA-N
- 2-Acetamido-1,4-imino-1,2,4-trideoxy-L-arabinitol
- CIBNSHFFZNRICG-LYFYHCNISA-N
- CIBNSHFFZNRICG-LYFYHCNISA-N
物化性质
实验特性
LogP |
-1.01480 |
PSA |
85.08000 |
计算特性
精确分子量 |
174.10000 |
氢键供体数量 |
4 |
氢键受体数量 |
4 |
可旋转化学键数量 |
2 |
同位素质量 |
174.10044231g/mol |
重原子数量 |
12 |
复杂度 |
174 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
3 |
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) |
-1.7 |
拓扑分子极性表面积 |
81.6Ų |
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