(2R,3R,4S,5R,6S)-3-azido-4-(benzyloxy)-5,6-dimethoxy-2-methyloxane

• ChemBase编号: 173326
• 分子式: C15H21N3O4
• 平均质量: 307.34494
• 单一同位素质量: 307.15320617
• SMILES: O1[C@@H]([C@H]([C@H]([C@@H]([C@@H]1C)N=[N+]=[N-])OCc1ccccc1)OC)OC
• Canonical SMILES: CO[C@@H]1[C@@H](OC)O[C@H]([C@H]([C@@H]1OCc1ccccc1)N=[N+]=[N-])C
• InChI: InChI=1S/C15H21N3O4/c1-10-12(17-18-16)13(14(19-2)15(20-3)22-10)21-9-11-7-5-4-6-8-11/h4-8,10,12-15H,9H2,1-3H3/t10-,12-,13+,14-,15+/m1/s1
• InChIKey: NYGOWLVAGJFTAB-LFHLZQBKSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3R,4S,5R,6S)-3-azido-4-(benzyloxy)-5,6-dimethoxy-2-methyloxane
• IUPAC传统名: (2R,3R,4S,5R,6S)-3-azido-4-(benzyloxy)-5,6-dimethoxy-2-methyloxane
• 别名: Methyl 4-Azido-4,6-dideoxy-2-O-methyl-3-O-(phenylmethyl)-α-D-glucopyranoside; Methyl 4-Azido-4,6-dideoxy-2-O-methyl-3-O-benzyl-α-D-glucopyranoside

登记号

• CAS号: 861819-28-5
• PubChem SID: 164229236
• PubChem CID: 71750203

理论计算性质

• Acid pKa: 15.958962
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 2.474522
• LogD (pH = 7.4): 2.474522
• Log P: 2.5885677
• 摩尔折射率: 79.5384 cm^3
• 极化性: 31.246092 Å^3
• 极化表面积: 66.35 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

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