CAS号:58-63-9-肌苷 - Inosine-科华智慧

1. 主信息

英文名:	Inosine
中文名:	肌苷
CAS编号:	58-63-9
化学分子式：	C₁₀H₁₂N₄O₅
化学分子量：	268.23 g/mol
SMILES：	C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O
来源：	冬虫夏草
结构类型：	核苷/核苷酸类
其它名称或标识：	Inosine

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	20mg	HPLC≥98%	48	点击购买	2-8℃	现货	-
科华智慧	25g	超纯，99%	32	点击购买	2-8℃	现货	-
科华智慧	100g	超纯，99%	56	点击购买	2-8℃	现货	-
科华智慧	500g	超纯，99%	200	点击购买	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 31 33 0 1 0 0 0 0 0999 V2000 2.0418 0.5031 0.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2061 -2.2593 -1.1775 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4486 -2.1193 0.4112 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7819 2.6090 0.3557 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5999 1.3539 -0.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 0.2750 0.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6809 1.9081 -0.3692 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 -1.5579 0.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 -0.8292 0.1999 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7128 -0.9859 -0.8309 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0719 -0.4120 0.4285 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1800 -1.0152 -0.4517 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3267 0.2641 0.3623 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6798 1.4761 -0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4913 -0.2767 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4121 1.5903 -0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3485 0.7485 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7675 0.5019 -0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -1.7741 0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5574 -0.3112 -1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8536 -1.1791 1.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -1.0910 -1.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 0.1606 1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9041 1.6860 -1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6373 1.3297 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7408 -2.5941 -1.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3891 -2.0756 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 2.2656 -0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0102 3.3675 -0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4898 -2.7637 0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -1.1213 0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 26 1 0 0 0 0 3 12 1 0 0 0 0 3 27 1 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 5 18 2 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 16 2 0 0 0 0 7 17 1 0 0 0 0 8 15 1 0 0 0 0 8 19 2 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 19 30 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

4.2 InChl

InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1

4.3 InChlKey

UGQMRVRMYYASKQ-KQYNXXCUSA-N

4.4 Canonical SMILES

C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O

4.5 lsomeric SMILES

C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 21 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -2.99405 -1.04767 0 0
M  V30 2 N -2.12803 -0.547673 0 0
M  V30 3 C -2.12803 0.452327 0 0
M  V30 4 C -2.99405 0.952327 0 0
M  V30 5 C -3.86008 0.452327 0 0
M  V30 6 O -4.72611 0.952327 0 0
M  V30 7 N -3.86008 -0.547673 0 0
M  V30 8 N -2.78614 1.93047 0 0
M  V30 9 C -1.79162 2.035 0 0
M  V30 10 N -1.38488 1.12146 0 0
M  V30 11 C -0.406737 0.913545 0 0
M  V30 12 C 0.336408 1.58268 0 0
M  V30 13 C 1.20243 1.08268 0 0
M  V30 14 C 0.994522 0.104528 0 0
M  V30 15 O 0 0 0 0
M  V30 16 C 1.66365 -0.638616 0 0
M  V30 17 O 2.6418 -0.430705 0 0
M  V30 18 O 2.11598 1.48941 0 0
M  V30 19 O 0.23188 2.5772 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 7
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 1 3 10
M  V30 5 2 3 4
M  V30 6 1 4 5
M  V30 7 1 4 8
M  V30 8 2 5 6
M  V30 9 1 5 7
M  V30 10 2 8 9
M  V30 11 1 9 10
M  V30 12 1 10 11
M  V30 13 1 11 15
M  V30 14 1 11 12
M  V30 15 1 12 13
M  V30 16 1 12 19
M  V30 17 1 13 14
M  V30 18 1 13 18
M  V30 19 1 14 15
M  V30 20 1 14 16
M  V30 21 1 16 17
M  V30 END BOND
M  V30 END CTAB
M  END

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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
半夏	tuber of Pinellia	Rhizoma Pinelliae
川贝母	Bulb of Tendrilleaf Fritillary	Bulbus Fritillariae Cirrhosae
大青叶	Isatis leaf	Folium Isatidis
冬虫夏草	Chinese Caterpillar Fungus	Cordyceps
枸杞叶	Chinese Wolfberry Leaf	Lycium chinense
海棠果	Kalofilum	Calophyllum inophyllum
辣椒	Hot pepper	fructus Capsici
人工蛹虫草	Cultivated Scarlet Caterpillar Fungus	Cordyceps militaris cv
太子参	Heterophylly Falsestarwort Root	Radix Pseudostellariae
甜菜	Common Beet	Beta vulgaris

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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