CAS号:--- - (2R,3R,4S,5R)-2-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]-5-methylpyrrolidine-3,4-diol-科华智慧

1. 主信息

英文名:	(2R,3R,4S,5R)-2-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]-5-methylpyrrolidine-3,4-diol
中文名:	-
CAS编号:	-
化学分子式：	C₁₄H₂₂N₂O₃
化学分子量：	266.34 g/mol
SMILES：	C[C@@H]1[C@@H]([C@@H]([C@H](N1)CN[C@@H](CO)C2=CC=CC=C2)O)O
来源：	-
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商

包装规格

含量

价格(元)

环境要求

货期

说明

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 41 42 0 1 0 0 0 0 0999 V2000 -2.0890 1.6357 1.4867 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 0.8165 0.5521 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9468 2.3818 -0.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6624 -0.5249 -1.3301 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3868 1.4199 -0.2725 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8645 0.5210 -0.6667 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1669 0.3890 0.8244 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5737 -0.1870 0.8359 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4859 -1.1951 -0.3061 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3773 0.3990 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8223 -1.6268 -0.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8097 1.2962 -0.5598 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3356 -0.0650 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5737 2.4436 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3512 -0.6469 -0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7846 -0.6844 0.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 -1.8971 -0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2681 -1.9346 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 -2.5408 0.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 1.4926 -1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4795 -0.3135 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8186 -0.6422 1.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9408 -2.0808 0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0718 -1.2073 -1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2363 0.5181 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0719 -0.6240 -0.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6772 -2.3882 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4598 -2.0580 -0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3634 -0.7920 -1.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0551 2.3454 -0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9564 1.3965 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7559 2.2259 1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4207 0.4198 0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 2.4054 1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1879 3.4142 -0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7789 -0.1548 -1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0119 -0.2252 1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 1.6771 0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6327 -2.3692 -1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8522 -2.4325 2.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6707 -3.5134 0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 32 1 0 0 0 0 2 8 1 0 0 0 0 2 33 1 0 0 0 0 3 14 1 0 0 0 0 3 38 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 24 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 19 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2R,3R,4S,5R)-2-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]-5-methylpyrrolidine-3,4-diol

4.2 InChl

InChI=1S/C14H22N2O3/c1-9-13(18)14(19)11(16-9)7-15-12(8-17)10-5-3-2-4-6-10/h2-6,9,11-19H,7-8H2,1H3/t9-,11-,12+,13+,14-/m1/s1

4.3 InChlKey

KHLOMLBNZUMIHX-QKGWFMCXSA-N

4.4 Canonical SMILES

C[C@@H]1[C@@H]([C@@H]([C@H](N1)CN[C@@H](CO)C2=CC=CC=C2)O)O

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型