CAS号:1272755-25-5-4-甲氧苯基-2-叠氮-3,6-二-O-苯基-2-脱氧-β-D-吡喃葡萄糖苷 - 4-Methoxyphenyl 2-Azido-3,6-di-O-benzyl-2-deoxy-beta-D-glucopyranoside-科华智慧

1. 主信息

英文名:	4-Methoxyphenyl 2-Azido-3,6-di-O-benzyl-2-deoxy-beta-D-glucopyranoside
中文名:	4-甲氧苯基-2-叠氮-3,6-二-O-苯基-2-脱氧-β-D-吡喃葡萄糖苷
CAS编号:	1272755-25-5
化学分子式：	C₂₇H₂₉N₃O₆
化学分子量：	491.5 g/mol
SMILES：	COC1=CC=C(C=C1)OC2C(C(C(C(O2)COCC3=CC=CC=C3)O)OCC4=CC=CC=C4)N=[N+]=[N-]
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	1g	-	1288	-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 65 68 0 1 0 0 0 0 0999 V2000 0.3715 0.0230 0.3611 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7239 0.3119 0.2261 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1102 2.6282 -0.3681 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2843 -2.3056 0.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0811 2.1632 0.1128 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7079 -3.0609 -0.3825 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4142 -2.1691 -0.6913 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4211 -2.6676 -0.1641 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3479 -3.1341 0.3097 N 0 5 0 0 0 0 0 0 0 0 0 0 -2.4105 0.2350 -0.3297 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5999 1.4218 0.1939 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1163 1.2643 -0.1504 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7662 -1.0924 0.0728 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2677 -1.1060 -0.2339 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7259 2.3787 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5191 1.2644 -0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -2.4922 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9676 0.9762 -0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9308 3.1695 0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1672 -2.5521 -1.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4616 -2.6230 1.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3471 2.8836 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6736 0.1176 -1.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6081 1.5670 0.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5379 -2.7431 -1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8323 -2.8139 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0203 -0.1500 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9546 1.2993 1.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3704 -2.8740 -0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1572 2.0878 1.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8534 3.4142 -0.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6608 0.4409 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 1.8225 0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1698 3.1488 -1.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9802 2.3530 -0.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 -3.1869 0.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4726 0.2746 -1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7312 1.4923 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 1.2800 -1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9119 -1.2606 1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1138 -1.0837 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 2.3594 1.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3999 3.3572 0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9673 2.5935 -1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3427 1.2519 -1.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3158 2.2739 -0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6248 4.1565 0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8473 3.1845 1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5331 -2.4698 -2.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0467 -2.5760 2.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1844 -0.3510 -1.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0689 2.2355 1.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9511 -2.7927 -2.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 -2.9072 1.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5699 -0.8192 -1.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4533 1.7586 1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7732 1.6661 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2312 4.0339 -1.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7092 0.2322 0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1043 1.2013 1.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5639 3.5613 -2.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0050 2.1459 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4754 -2.2714 1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2206 -4.0726 1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -3.3298 0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 11 1 0 0 0 0 3 44 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 5 15 1 0 0 0 0 5 19 1 0 0 0 0 6 29 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 15 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 25 1 0 0 0 0 20 49 1 0 0 0 0 21 26 2 0 0 0 0 21 50 1 0 0 0 0 22 30 2 0 0 0 0 22 31 1 0 0 0 0 23 27 1 0 0 0 0 23 51 1 0 0 0 0 24 28 2 0 0 0 0 24 52 1 0 0 0 0 25 29 2 0 0 0 0 25 53 1 0 0 0 0 26 29 1 0 0 0 0 26 54 1 0 0 0 0 27 32 2 0 0 0 0 27 55 1 0 0 0 0 28 32 1 0 0 0 0 28 56 1 0 0 0 0 30 33 1 0 0 0 0 30 57 1 0 0 0 0 31 34 2 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 35 2 0 0 0 0 33 60 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 M CHG 2 8 1 9 -1

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4. 国际命名与标识

4.1 IUPAC Name

(2R,3S,4R,5R,6S)-5-azido-6-(4-methoxyphenoxy)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol

4.2 InChl

InChI=1S/C27H29N3O6/c1-32-21-12-14-22(15-13-21)35-27-24(29-30-28)26(34-17-20-10-6-3-7-11-20)25(31)23(36-27)18-33-16-19-8-4-2-5-9-19/h2-15,23-27,31H,16-18H2,1H3/t23-,24-,25-,26-,27-/m1/s1

4.3 InChlKey

ZTAXYCGZXSYIMV-RFNQJFSXSA-N

4.4 Canonical SMILES

COC1=CC=C(C=C1)OC2C(C(C(C(O2)COCC3=CC=CC=C3)O)OCC4=CC=CC=C4)N=[N+]=[N-]

4.5 lsomeric SMILES

COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)O)OCC4=CC=CC=C4)N=[N+]=[N-]

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