((2R,3S,5S)-3-((4-Methylbenzoyl)oxy)-5-(7-oxo-3,4-dihydro-1H-pyrimido[4,5-c][1,2]oxazin-6(7H)-yl)tetrahydrofuran-2-yl)methyl 4-methylbenzoate
((2R,3S,5S)-3-((4-Methylbenzoyl)oxy)-5-(7-oxo-3,4-dihydro-1H-pyrimido[4,5-c][1,2]oxazin-6(7H)-yl)tetrahydrofuran-2-yl)methyl 4-methylbenzoate · CAS 126128-41-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- ((2R,3S,5S)-3-((4-Methylbenzoyl)oxy)-5-(7-oxo-3,4-dihydro-1H-pyrimido[4,5-c][1,2]oxazin-6(7H)-yl)tetrahydrofuran-2-yl)methyl 4-methylbenzoate
- CAS
- 126128-41-4
- CID
- 72943123
- IUPAC 名称
- [(2R,3S,5S)-3-(4-methylbenzoyl)oxy-5-(7-oxo-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-6-yl)oxolan-2-yl]methyl 4-methylbenzoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- ((2R,3S,5S)-3-((4-Methylbenzoyl)oxy)-5-(7-oxo-3,4-dihydro-1H-pyrimido[4,5-c][1,2]oxazin-6(7H)-yl)tetrahydrofuran-2-yl)methyl 4-methylbenzoate
- CAS
- 126128-41-4
- CID
- 72943123
- IUPAC 名称
- [(2R,3S,5S)-3-(4-methylbenzoyl)oxy-5-(7-oxo-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-6-yl)oxolan-2-yl]methyl 4-methylbenzoate
分子属性
- 分子式
- C27H27N3O7
- 分子量
- 505.5 g/mol
- 精确质量
- 505.18490021 Da
- 单同位素质量
- 505.18490021 Da
- XLogP
- 3.5
- 极性表面积
- 116 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 8
- 重原子数
- 37
- 净电荷
- 0
- 结构复杂度
- 934
结构标识
- InChIKey
- RSFWOLICWVOUAF-ZRBLBEILSA-N
- SMILES
- CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@H](O2)N3C=C4CCONC4=NC3=O)OC(=O)C5=CC=C(C=C5)C
- InChI
- InChI=1S/C27H27N3O7/c1-16-3-7-18(8-4-16)25(31)34-15-22-21(37-26(32)19-9-5-17(2)6-10-19)13-23(36-22)30-14-20-11-12-35-29-24(20)28-27(30)33/h3-10,14,21-23H,11-13,15H2,1-2H3,(H,28,29,33)/t21-,22+,23-/m0/s1