CAS号:175291-56-2-Fmoc-苏氨酸磷酸苄酯 - Fmoc-O-(benzylphospho)-L-threonine-科华智慧

1. 主信息

英文名:	Fmoc-O-(benzylphospho)-L-threonine
中文名:	Fmoc-苏氨酸磷酸苄酯
CAS编号:	175291-56-2
化学分子式：	C₂₆H₂₆NO₈P
化学分子量：	511.5 g/mol
SMILES：	CC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OP(=O)(O)OCC4=CC=CC=C4
来源：	合成化合物
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
科华智慧	5mg	HPLC≥98%	96	2-8℃	现货	-
科华智慧	100mg	95%	96	2-8℃	现货	-
科华智慧	250mg	95%	160	2-8℃	现货	-
科华智慧	1g	95%	480	2-8℃	现货	-
科华智慧	5g	95%	1600	2-8℃	现货	-
科华智慧	25g	95%	4800	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 62 65 0 1 0 0 0 0 0999 V2000 -3.3593 -1.6790 1.6014 P 0 0 1 0 0 0 0 0 0 0 0 0 2.5980 -1.1235 -0.7469 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1772 -1.8340 0.5118 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2388 -3.1657 -1.7346 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -0.2444 1.2817 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 -3.9139 -2.6514 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3691 -1.6605 -2.4893 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4551 -2.7578 1.0961 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9282 -1.8656 3.0278 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5649 -2.0855 -0.5459 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6127 0.1602 -0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8475 1.4097 -1.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6368 0.3031 0.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 2.1713 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9824 1.4923 1.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9319 -1.1234 -1.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5139 1.8310 -2.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2085 -0.5454 1.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8006 3.3608 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8879 1.8356 2.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8109 3.0295 -2.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1131 -0.1990 3.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 3.7866 -1.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4585 0.9794 3.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4783 -3.0713 -0.7117 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4835 -3.0791 0.4443 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8332 -2.2171 -1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8282 -3.3504 1.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1652 -2.7781 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4866 0.0523 -0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0688 1.4350 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2494 2.5238 -0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4225 1.6154 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7908 3.8092 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9638 2.9009 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1480 3.9977 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6390 0.2230 -1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9255 -1.1764 -2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4632 -2.0002 -0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7889 1.2519 -3.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7188 -1.4538 1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5221 3.9575 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3874 2.7431 2.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5345 3.3832 -3.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5511 -0.8470 3.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 4.7167 -1.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 1.2284 4.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 -4.0518 -0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2219 -3.8648 0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3422 -1.2242 -0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5526 -3.7421 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0522 -4.1184 1.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3754 -2.4483 2.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2371 -0.6834 -0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6484 -0.0195 -0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0454 -3.7216 -3.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2192 -2.9637 1.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1907 2.3884 -0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0666 0.7682 0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1555 4.6634 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0204 3.0479 0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5694 4.9986 -0.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 16 1 0 0 0 0 2 27 1 0 0 0 0 3 26 1 0 0 0 0 4 27 2 0 0 0 0 5 30 1 0 0 0 0 6 29 1 0 0 0 0 6 56 1 0 0 0 0 7 29 2 0 0 0 0 8 57 1 0 0 0 0 10 25 1 0 0 0 0 10 27 1 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 20 2 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 21 1 0 0 0 0 17 40 1 0 0 0 0 18 22 1 0 0 0 0 18 41 1 0 0 0 0 19 23 1 0 0 0 0 19 42 1 0 0 0 0 20 24 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 24 2 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 25 48 1 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 58 1 0 0 0 0 33 35 2 0 0 0 0 33 59 1 0 0 0 0 34 36 2 0 0 0 0 34 60 1 0 0 0 0 35 36 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[hydroxy(phenylmethoxy)phosphoryl]oxybutanoic acid

4.2 InChl

InChI=1S/C26H26NO8P/c1-17(35-36(31,32)34-15-18-9-3-2-4-10-18)24(25(28)29)27-26(30)33-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23-24H,15-16H2,1H3,(H,27,30)(H,28,29)(H,31,32)/t17-,24+/m1/s1

4.3 InChlKey

HOFDVXHILSPFNS-OSPHWJPCSA-N

4.4 Canonical SMILES

CC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OP(=O)(O)OCC4=CC=CC=C4

4.5 lsomeric SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OP(=O)(O)OCC4=CC=CC=C4

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