Name: Cucurbit[7]uril
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213840159
Cas No:259886-50-5
常用名:Cucurbit[7]uril
别名:葫芦[7]脲
IUPAC:1,4,6,8,10,12,14,16,18,20,22,24,26,28,31,33,36,38,41,44,46,48,51,53,55,57,60,62-octacosaazadocosacyclo[22.18.21.1^{4,51}.1^{20,23}.1^{22,57}.1^{28,31}.1^{33,36}.1^{38,41}.1^{48,60}.0^{2,6}.0^{3,44}.0^{8,40}.0^{10,39}.0^{12,35}.0^{14,34}.0^{16,30}.0^{18,29}.0^{46,50}.0^{49,53}.0^{55,59}.0^{58,62}.0^{26,70}]heptacontane-5,9,13,17,21,25,43,47,52,56,61,67,68,69-tetradecone
IUPAC:1,4,6,8,10,12,14,16,18,20,22,24,26,28,31,33,36,38,41,44,46,48,51,53,55,57,60,62-octacosaazadocosacyclo[22.18.21.1^{4,51}.1^{20,23}.1^{22,57}.1^{28,31}.1^{33,36}.1^{38,41}.1^{48,60}.0^{2,6}.0^{3,44}.0^{8,40}.0^{10,39}.0^{12,35}.0^{14,34}.0^{16,30}.0^{18,29}.0^{46,50}.0^{49,53}.0^{55,59}.0^{58,62}.0^{26,70}]heptacontane-5,9,13,17,21,25,43,47,52,56,61,67,68,69-tetradecone
InChI key:ZDOBFUIMGBWEAB-UHFFFAOYSA-N

分子式:C42H42N28O14
分子量:1162.98
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O=C1N2CN3C4C5N(CN6C7C8N(CN9C%10C%11N(CN%12C%13C%14N(CN%15C%16C%17N(CN%18C%19C%20N(CN1C1C2N2CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN1C2=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O
SMILES:O=C1N2CN3C4C5N(CN6C7C8N(CN9C%10C%11N(CN%12C%13C%14N(CN%15C%16C%17N(CN%18C%19C%20N(CN1C1C2N2CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN1C2=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O

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