dibenzyl {3-[N-(benzyloxy)acetamido]propyl}phosphonate

• ChemBase编号: 178911
• 分子式: C26H30NO5P
• 平均质量: 467.493861
• 单一同位素质量: 467.1861597
• SMILES: N(CCCP(=O)(OCc1ccccc1)OCc1ccccc1)(OCc1ccccc1)C(=O)C
• Canonical SMILES: CC(=O)N(OCc1ccccc1)CCCP(=O)(OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C26H30NO5P/c1-23(28)27(30-20-24-12-5-2-6-13-24)18-11-19-33(29,31-21-25-14-7-3-8-15-25)32-22-26-16-9-4-10-17-26/h2-10,12-17H,11,18-22H2,1H3
• InChIKey: XRFOPUVTELUIOT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dibenzyl {3-[N-(benzyloxy)acetamido]propyl}phosphonate
• IUPAC传统名: dibenzyl 3-[N-(benzyloxy)acetamido]propylphosphonate
• 别名: Tri-O-benzyl P-[3-(acetylhydroxyamino)propyl]phosphonic Acid; Tri-O-benzyl [3-(Acetylhydroxyamino)propyl]phosphonic Acid; Tri-O-benzyl Antibiotic FR 900098; Tri-O-benzyl FR 900098

登记号

• CAS号: 1003599-68-5
• PubChem SID: 164234821
• PubChem CID: 71752687

理论计算性质

• 极化表面积: 65.07 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.6648564
• LogD (pH = 7.4): 4.6648564
• Log P: 4.6648564
• 摩尔折射率: 128.6101 cm^3
• 极化性: 50.79882 Å^3

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• 外观: Yellow Oil

详细说明

Toronto Research Chemicals - T768400

Protected Antibiotic FR 900098.