CAS: 35920-39-9
名称: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
SMILES:
CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O分子加工
分子式
C12H16N6O4
分子量
308.3
精确质量
308.1233
XLogP
-1.84
TPSA
148.41
氢键给体数
4
氢键受体数
8
可旋转键
3
重原子数
22
环数
3
芳香环
2
饱和环
1
脂环
1
立体中心
4
未定义立体
4
形式电荷
0
杂原子数
10
共价单元
1
sp3占比
0.5
摩尔折射率
74.34
补充信息
InChIKey: JADDQZYHOWSFJD-FLNNQWSLSA-N
同义词
NECAN-ethyl-5'-carboxamidoadenosine3WC8SJ5ZLJ(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamideCHEBI:73284RefChem:109229935920-39-95'-N-Ethylcarboxamidoadenosine5'-Ethylcarboxamido AdenosineAdenosine-5'-(N-ethylcarboxamide)[3H]NECA1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamideMFCD00069195(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamideMLS000069759CHEMBL464859C12H16N6O4SMR000058759(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamideNECN-EthylcarboxamidoadenosineAdenosine, N6-Ethyl-carboxamido5'-n-ethylcarboxamidoadenosine (neca)2ydvDTXSID8010172345'-N(Sup 6)-Ethylcarboxamidoadenosine[3H]adenosine-5'-(N-ethylcarboxamide)1qy5Opera_ID_4705'-ethylcarboxamidoadenosine
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