CAS 89524-98-1|N-Butoxycarbonyl trimethylphosphonoglycine|methyl 2-[(tert-butoxycarbonyl)amino]-2-(dimethoxyphosphoryl)acetate|methyl 2-{[(tert-butoxy)carbonyl]amino}-2-(dimethoxyphosphoryl)acetate|(...

基本信息

化学结构

分子式

C₁₀H₂₀NO₇P

分子量

297.242061

精确质量

297.09773862

电荷

InChI

InChI=1S/C10H20NO7P/c1-10(2,3)18-9(13)11-7(8(12)15-4)19(14,16-5)17-6/h7H,1-6H3,(H,11,13)

InChIKey

LJHAPRKTPAREGO-UHFFFAOYSA-N

Canonic Smiles

COC(=O)C(P(=O)(OC)OC)NC(=O)OC(C)(C)C

Isomeric Smiles

P(=O)(OC)(C(NC(=O)OC(C)(C)C)C(=O)OC)OC

计算属性

JChem

Acid pKa

12.838981

质子受体

质子供体

LogD (pH = 5.5)

0.5642678

LogD (pH = 7.4)

0.5642664

Log P

0.5642679

摩尔折射率

65.0966

极化性

26.766842

极化表面积

100.16

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

N-Butoxycarbonyl trimethylphosphonoglycine(±)-三甲基-Boc-α-膦酰基甘氨酸酯(±)-Boc-α-膦酰基甘氨酸三甲酯(±)-Trimethyl-Boc-α-phosphonoglycinate(±)-Boc-α-phosphonoglycine trimethyl ester(±)-Boc-alpha-phosphonoglycine trimethyl ester(+/-)-Boc-α-膦酰基甘氨酸三甲酯Methyl 2-((tert-butoxycarbonyl)amino)-2-(dimethoxyphosphoryl)acetate

IUPAC传统名

methyl 2-[(tert-butoxycarbonyl)amino]-2-(dimethoxyphosphoryl)acetate

IUPAC标准名

methyl 2-{[(tert-butoxy)carbonyl]amino}-2-(dimethoxyphosphoryl)acetate

名称和标识

数据登录号

CAS号

89524-98-1

MDL号

MFCD02178893

PubChem SID

24846376162028822