5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt) structure

5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)

概要:5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)(CAS 101011-06-7)是一种化学化合物,分子式为C31H53N4O9P,分子量为656.36 g/mol。河南科弘生物科技有限公司提供CRO/CDMO定制合成服务,支持克级到吨级规格。

[(2R,3S,5S)-3-[5-(4-decyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate

又称:5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt), [(2R,3S,5S)-3-[5-(1-decyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate, [(2R,3S,5S)-3-{[5-(4-Decyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium-1-yl)pentanoyl]oxy}-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methyl phosphate, BRN 6040240

CAS: 101011-06-7
分子式 C31H53N4O9P
分子量 656.36 g/mol
LogP 1.86142
拓扑极性表面积 162.81 Ų
氢键供体数 1
氢键受体数 9
可旋转键数 19
精确质量 656.35504
重原子数 45
复杂度 1253.7179

化学标识符

CAS 编号 101011-06-7
SMILES CCCCCCCCCC[N+]12CC[N+](CC1)(CC2)CCCCC(=O)O[C@H]3C[C@H](O[C@@H]3COP(=O)([O-])[O-])N4C=C(C(=O)NC4=O)C

产品概述

5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)(CAS 101011-06-7),分子式为C31H53N4O9P,分子量为656.36 g/mol。IUPAC名:[(2R,3S,5S)-3-[5-(4-decyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate

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安全数据表(MSDS / SDS) 在PubChem上查看实验室化学品安全摘要(LCSS)——包含GHS分类、危险说明、急救措施和操作注意事项。
查看MSDS →

5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)化学性质概览

XLogP(分配系数)
1.86142
TPSA(拓扑极性表面积)
162.81
氢键供体数
1
氢键受体数
9
可旋转键数
19
重原子数
45
复杂度
1253.7179
精确质量
656.35504
单同位素质量
656.35504
数据来源: 化学性质数据引用自 PubChem,由美国国家医学图书馆(NLM)下属的国家生物技术信息中心(NCBI)维护的全球最大开放化学数据库。

属性洞察:5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)

5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)的XLogP值为1.86142,表明具有中等亲脂性,在水溶性和膜透过性之间取得平衡。 TPSA为162.81 Ų,极性较高,提示该化合物膜透过性可能受限但水溶性较好。 根据Lipinski五规则,5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)有1个氢键供体和9个氢键受体,可能需要考虑配方优化。

常见问题

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每批出货均附带COA(分析证书)、MSDS(安全数据表)和技术数据单。
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常见问题

5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)的CAS号是多少?

5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)的CAS号为101011-06-7。

5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)的分子式是什么?

5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)的分子式为C31H53N4O9P。

5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)的分子量是多少?

5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)的分子量为656.36 g/mol。

在哪里可以购买5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)?

您可以直接向科弘生物询价5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)。联系我们或发送邮件至info@kehongbio.com获取报价和库存信息。

科弘生物是否提供5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)的定制合成服务?

是的,科弘生物提供5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)及相关化合物的定制合成服务。请联系我们并告知您的具体需求,包括数量、纯度和交期。

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