CAS号:817204-34-5-Benzamide, N-[1,2-dihydro-1-[2-C-methyl-3,5-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]-β-D-arabinofuranosyl]-2-oxo-4 - N-(1-((6aR,8R,9S,9aR)-9-hydroxy-2,2,4,4-tetraisopropyl-9-methyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide-科华智慧

1. 主信息

英文名:	N-(1-((6aR,8R,9S,9aR)-9-hydroxy-2,2,4,4-tetraisopropyl-9-methyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide
中文名:	Benzamide, N-[1,2-dihydro-1-[2-C-methyl-3,5-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]-β-D-arabinofuranosyl]-2-oxo-4
CAS编号:	817204-34-5
化学分子式：	C₂₉H₄₅N₃O₇SI₂
化学分子量：	603.9 g/mol
SMILES：	CC(C)[Si]1(OCC2C(C(C(O2)N3C=CC(=NC3=O)NC(=O)C4=CC=CC=C4)(C)O)O[Si](O1)(C(C)C)C(C)C)C(C)C
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	100mg	98%	6000	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 86 89 0 1 0 0 0 0 0999 V2000 4.5079 -1.2344 0.1665 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.7859 1.9144 -0.1058 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.8337 -1.4105 0.2549 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3264 0.7550 0.7107 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9193 0.3573 0.5102 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3607 2.0382 -0.9848 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 -0.5440 -1.8245 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8009 -2.6192 1.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8158 1.7877 0.1669 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -0.5781 0.4515 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7218 -1.6164 0.8289 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6224 -0.5274 0.0995 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9831 -0.5269 -0.4820 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5832 -1.1272 -0.6521 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7203 0.7441 0.3547 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1490 -0.5890 0.5715 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0766 2.0473 -0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1321 -1.7302 -1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 -2.3785 1.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8286 3.1660 1.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 2.2738 -1.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5206 -2.6426 -0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6482 -1.9614 -1.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4089 -2.9575 -2.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6397 -3.7502 1.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4192 -1.7592 2.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0255 2.7189 2.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 4.5652 0.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0814 1.6806 -2.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5895 1.8218 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2156 0.4900 -0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3425 -1.6596 0.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5397 0.5570 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2625 -0.5980 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3173 0.6705 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7840 0.5500 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6392 1.5369 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3063 -0.5499 -0.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0163 1.4239 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6836 -0.6627 -1.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5385 0.3243 -0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 -0.3055 -1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.6918 1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1459 -1.1361 1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9512 2.9081 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3466 2.2131 -1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8864 -0.9025 -2.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3538 -2.5485 1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8755 3.2454 1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2898 3.3632 -1.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5054 -2.9771 -0.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1065 -2.9838 -1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8897 -3.1500 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4972 -0.8670 -2.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9293 -2.8958 -1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2128 -1.1540 -1.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9877 -2.0426 -2.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 -3.1384 -3.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3256 -2.8146 -2.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6194 -3.8691 -1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5918 -3.6645 1.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6668 -4.2880 0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1493 -4.3827 2.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4282 -1.5448 3.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9868 -0.8216 2.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9318 -2.4391 3.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9476 2.7066 2.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3244 1.7222 2.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1983 3.4108 3.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3204 4.5958 0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9671 4.9405 0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4960 5.2759 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2733 0.6084 -2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0896 1.8697 -3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8124 2.1351 -3.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8164 2.3772 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4083 2.0119 -1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6048 0.7616 -0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5937 1.2713 -0.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9655 1.3410 -0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1395 -1.3874 0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2515 2.3988 0.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6714 -1.3254 -1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6823 2.1919 0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0904 -1.5158 -1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6108 0.2370 -0.6628 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 18 1 0 0 0 0 1 19 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 13 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 6 17 1 0 0 0 0 7 14 1 0 0 0 0 7 54 1 0 0 0 0 8 32 2 0 0 0 0 9 35 2 0 0 0 0 10 16 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 32 1 0 0 0 0 11 34 2 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 81 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 18 47 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 48 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 20 49 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 33 2 0 0 0 0 31 79 1 0 0 0 0 33 34 1 0 0 0 0 33 80 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 82 1 0 0 0 0 38 40 2 0 0 0 0 38 83 1 0 0 0 0 39 41 2 0 0 0 0 39 84 1 0 0 0 0 40 41 1 0 0 0 0 40 85 1 0 0 0 0 41 86 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

N-[1-[(6aR,8R,9S,9aR)-9-hydroxy-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]benzamide

4.2 InChl

InChI=1S/C29H45N3O7Si2/c1-18(2)40(19(3)4)36-17-23-25(38-41(39-40,20(5)6)21(7)8)29(9,35)27(37-23)32-16-15-24(31-28(32)34)30-26(33)22-13-11-10-12-14-22/h10-16,18-21,23,25,27,35H,17H2,1-9H3,(H,30,31,33,34)/t23-,25-,27-,29+/m1/s1

4.3 InChlKey

YKWNIXHJESCFCK-ACEYUQJJSA-N

4.4 Canonical SMILES

CC(C)[Si]1(OCC2C(C(C(O2)N3C=CC(=NC3=O)NC(=O)C4=CC=CC=C4)(C)O)O[Si](O1)(C(C)C)C(C)C)C(C)C

4.5 lsomeric SMILES

CC(C)[Si]1(OC[C@@H]2[C@H]([C@]([C@@H](O2)N3C=CC(=NC3=O)NC(=O)C4=CC=CC=C4)(C)O)O[Si](O1)(C(C)C)C(C)C)C(C)C

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