Name: 5(6)-ROX
Rating: 5 (10 reviews)

待询

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666810
Cas No:198978-94-8
常用名:5(6)-ROX
IUPAC:16-(4-carboxy-2-carboxylatophenyl)-3-oxa-9lambda5,23-diazaheptacyclo[17.7.1.1^{5,9}.0^{2,17}.0^{4,15}.0^{23,27}.0^{13,28}]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-9-ylium; 16-(5-carboxy-2-carboxylatophenyl)-3-oxa-9lambda5,23-diazaheptacyclo[17.7.1.1^{5,9}.0^{2,17}.0^{4,15}.0^{23,27}.0^{13,28}]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-9-ylium
IUPAC:16-(4-carboxy-2-carboxylatophenyl)-3-oxa-9lambda5,23-diazaheptacyclo[17.7.1.1^{5,9}.0^{2,17}.0^{4,15}.0^{23,27}.0^{13,28}]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-9-ylium; 16-(5-carboxy-2-carboxylatophenyl)-3-oxa-9lambda5,23-diazaheptacyclo[17.7.1.1^{5,9}.0^{2,17}.0^{4,15}.0^{23,27}.0^{13,28}]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-9-ylium
InChI key:XCBOZLYEMDRQTI-UHFFFAOYSA-N

分子式:C66H60N4O10
分子量:1069.224
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:1.1939323
SMILES:OC(=O)c1ccc(C2=c3cc4CCC[N+]5=c4c(CCC5)c3Oc3c4CCCN5CCCc(cc23)c45)c(c1)C([O-])=O.OC(=O)c1ccc(C([O-])=O)c(c1)C1=c2cc3CCC[N+]4=c3c(CCC4)c2Oc2c3CCCN4CCCc(cc12)c34 |c:7,14,60,67|
SMILES:OC(=O)c1ccc(C2=c3cc4CCC[N+]5=c4c(CCC5)c3Oc3c4CCCN5CCCc(cc23)c45)c(c1)C([O-])=O.OC(=O)c1ccc(C([O-])=O)c(c1)C1=c2cc3CCC[N+]4=c3c(CCC4)c2Oc2c3CCCN4CCCc(cc12)c34 |c:7,14,60,67|

市场产品/服务共显示0个结果

您无法确定哪种化合物库最适合您的项目？或者您需要定制解决方案？Anymole随时为您提供帮助。

电话：400820-0310

合作：info@screeningcompound.com

技术支持：tech@screeningcompound.com

客服：service@screeningcompound.com

正在加载 ~