CAS号:118-00-3-鸟苷 - Guanosine-科华智慧

1. 主信息

英文名:	Guanosine
中文名:	鸟苷
CAS编号:	118-00-3
化学分子式：	C₁₀H₁₃N₅O₅
化学分子量：	283.24 g/mol
SMILES：	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N
来源：	冬虫夏草
结构类型：	核苷/核苷酸类
其它名称或标识：	Guanosine

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%	96	点击购买	2-8℃	现货	-
科华智慧	25g	超纯，99%	24	点击购买	2-8℃	现货	-
科华智慧	100g	超纯，99%	68	点击购买	2-8℃	现货	-
科华智慧	500g	超纯，99%	296	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 33 35 0 1 0 0 0 0 0999 V2000 2.2515 0.3950 1.0055 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2055 -2.1539 -1.3158 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4194 -2.3128 0.3108 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1919 2.3591 0.5279 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2514 1.9345 -0.4356 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0307 0.4282 0.1407 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2966 2.2147 -0.3151 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -1.2704 0.3973 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9105 -0.3212 0.0638 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6603 -2.6083 0.5638 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8214 -0.9548 -0.8904 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2119 -0.3933 0.3900 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2717 -1.1426 -0.4921 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5206 0.0706 0.3951 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0016 1.2890 -0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3232 -0.0068 0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0663 1.7710 -0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0729 1.1094 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5038 0.9961 -0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0437 -1.4035 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7463 -0.2227 -1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9084 -1.1767 1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 -1.2335 -1.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2158 -0.1451 1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2637 1.6115 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9513 1.0816 -0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7213 -2.4963 -2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3548 -2.3711 0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8301 2.3710 -0.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 3.1227 0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9079 -0.5135 0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1232 -3.4426 0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6693 -2.7013 0.5220 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 11 1 0 0 0 0 2 27 1 0 0 0 0 3 13 1 0 0 0 0 3 28 1 0 0 0 0 4 15 1 0 0 0 0 4 30 1 0 0 0 0 5 19 2 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 17 2 0 0 0 0 7 18 1 0 0 0 0 8 16 1 0 0 0 0 8 20 2 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 31 1 0 0 0 0 10 20 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 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 15 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

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

4.2 InChl

InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1

4.3 InChlKey

NYHBQMYGNKIUIF-UUOKFMHZSA-N

4.4 Canonical SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N

4.5 lsomeric SMILES

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

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 2.06846 -1.58268 0 0
M  V30 2 N 1.07394 -1.47815 0 0
M  V30 3 C 0.866025 -0.5 0 0
M  V30 4 C 1.73205 -1.11022e-16 0 0
M  V30 5 N 2.4752 -0.669131 0 0
M  V30 6 C 3.45334 -0.461219 0 0
M  V30 7 C 3.86008 0.452327 0 0
M  V30 8 C 4.8546 0.347798 0 0
M  V30 9 C 5.06251 -0.63035 0 0
M  V30 10 O 4.19649 -1.13035 0 0
M  V30 11 C 5.97606 -1.03709 0 0
M  V30 12 O 6.08059 -2.03161 0 0
M  V30 13 O 5.52373 1.09094 0 0
M  V30 14 O 3.36008 1.31835 0 0
M  V30 15 N 1.73205 1 0 0
M  V30 16 C 0.866025 1.5 0 0
M  V30 17 N -1.66533e-16 1 0 0
M  V30 18 C -0 -0 0 0
M  V30 19 O -0.866025 -0.5 0 0
M  V30 20 N 0.866025 2.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 5
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 1 3 18
M  V30 5 2 3 4
M  V30 6 1 4 5
M  V30 7 1 4 15
M  V30 8 1 5 6
M  V30 9 1 6 10
M  V30 10 1 6 7
M  V30 11 1 7 8
M  V30 12 1 7 14
M  V30 13 1 8 9
M  V30 14 1 8 13
M  V30 15 1 9 10
M  V30 16 1 9 11
M  V30 17 1 11 12
M  V30 18 2 15 16
M  V30 19 1 16 17
M  V30 20 1 16 20
M  V30 21 1 17 18
M  V30 22 2 18 19
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
百部	Root of Japanese Stemo	Radix Stemoe
半夏	tuber of Pinellia	Rhizoma Pinelliae
川贝母	Bulb of Tendrilleaf Fritillary	Bulbus Fritillariae Cirrhosae
川射干	Iridis Tectori Rhizoma	-
大青叶	Isatis leaf	Folium Isatidis
当归	root of Chinese Angelica	Radix Angelicae sinensis
冬虫夏草	Chinese Caterpillar Fungus	Cordyceps
覆盆子	Rubi Fructus	-
管花肉苁蓉	Tubeshaped Flower Cistanche	Cistanche tubulosa
广枣	fruit of Axillary choerospondias	Fructus Choerospondiatis

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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