L-Alanine, N-((S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl)-, 1-methylethyl ester
CAS 1334513-02-8 · C18H17F5NO5P · 453.3 g/mol
propan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
启用JavaScript以查看交互式3D可视化
3D模型L-Alanine, N-((S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl)-, 1-methylethyl ester，CAS 1334513-02-8，分子式C18H17F5NO5P, 摩尔质量 453.3 g/mol
关于 L-Alanine, N-((S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl)-, 1-methylethyl ester L-Alanine, N-((S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl)-, 1-methylethyl ester 是一种化学品，登记号为 CAS 1334513-02-8 ，分子式为 C18 H17 F5 NO5 P，摩尔质量为 453.3 g/mol。
该分子包含 47 个原子，通过 48 个化学键连接。 该化合物的完整系统 IUPAC 名称为 propan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate 。 上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。
在理化性质方面， 分配系数 logP = 4.5 (正值，亲脂性化合物)，极性表面积 PSA = 73.9 Ų ，1 个氢键供体和 11 个氢键受体。 这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。
该化合物的化学数据来自 PubChem （NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。上方的小部件可用于教育、研究和商业用途。
理化性质
Molecular formula C18 H17 F5 NO5 P Masa molowa 453.3 g/mol IUPAC propan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate SMILES C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC1=CC=CC=C1)OC2=C(C(=C(C(=C2F)F)F)F)FInChIKey MIILDBHEJQLACD-ZJPIPACBSA-NlogP (XLogP3) 4.5 PSA 73.9 Ų HBD / HBA 1 / 11 PubChem CID CID 53476763 ↗
科学文献
Related literature 15 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar
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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną
同义词
L-Alanine, N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-, 1-methylethyl ester · L-Alanine, N-((S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl)-, 1-methylethyl ester · RefChem:794798 · 1334513-02-8 · (S)-isopropyl 2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate · MFCD22665799 · Sofosbuvir Impurity T · isopropyl ((S)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate · propan-2-yl (2S)-2-{[(S)-pentafluorophenoxy(phenoxy)phosphoryl]amino}propanoate · N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)Phenoxyphosphinyl]-L-Alanine 1-Methylethyl Ester · Isopropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxy-phosphoryl]amino]propanoate · Isopropyl((R)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate · SCHEMBL2510990 · propan-2-yl (2S)-2-{[pentafluorophenoxy(phenoxy)phosphoryl]amino}propanoate · MIILDBHEJQLACD-ZJPIPACBSA-N
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