(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(triphenylmethoxy)butanoic acid

• ChemBase编号: 153699
• 分子式: C38H33NO5
• 平均质量: 583.67232
• 单一同位素质量: 583.23587316
• SMILES: c1ccc(cc1)C(c1ccccc1)(c1ccccc1)OCC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
• Canonical SMILES: O=C(N[C@@H](C(=O)O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C38H33NO5/c40-36(41)35(39-37(42)43-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34)24-25-44-38(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-23,34-35H,24-26H2,(H,39,42)(H,40,41)/t35-/m1/s1
• InChIKey: QUTREFXHXPNEJN-PGUFJCEWSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(triphenylmethoxy)butanoic acid
• IUPAC传统名: (2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(triphenylmethoxy)butanoic acid
• 别名: Nα-Fmoc-O-trityl-D-homoserine; Fmoc-D-Homoser(Trt)-OH

登记号

• CAS号: 257886-01-4
• MDL号: MFCD01631663
• PubChem SID: 162247838; 24890195
• PubChem CID: 16218808

理论计算性质

• Acid pKa: 3.8048303
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 6.160918
• LogD (pH = 7.4): 4.598291
• Log P: 7.8584485
• 摩尔折射率: 170.7876 cm^3
• 极化性: 67.18247 Å^3
• 极化表面积: 84.86 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (HPLC)
• Empirical Formula (Hill Notation): C38H33NO5

详细说明

Sigma Aldrich - 95727

Biochem/physiol Actions
Nα-Fmoc-O-trityl-D-homoserine is an N-terminal blocked O-tritylated derivative of homoserine.