58994-55-1 (([(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium; hydrogen sulfate; 4-methylbenzenesulfonic acid; sulfuric acid)

结构式：

[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium; hydrogen sulfate; 4-methylbenzenesulfonic acid; sulfuric acidMOL文件

CAS号：

58994-55-1

英文名称：

[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium; hydrogen sulfate; 4-methylbenzenesulfonic acid; sulfuric acid

分子式：

C₂₉H₄₂N₆O₁₉S₅

分子量：

938.997581958771

[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium; hydrogen sulfate; 4-methylbenzenesulfonic acid; sulfuric acid(58994-55-1)名称与标识符

名称

英文别名：

[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopu rin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfo nium, hydrogen sulfate, 4-methylbenzenesulfonic acid, sulfuric acid;[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium;4-methylbenzenesulfonic acid;hydrogen sulfate;sulfuric acid;55722-12-8;[(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;hydrogen sulfate;4-methylbenzenesulfonic acid;sulfuric acid;S-Adenosylmethionine disulfate ditosylate;58994-55-1;Adenosine, 5'-((3-amino-3-carboxypropyl)methylsulfonio)-5'-deoxy-, hydroxide, inner salt, (S)-, 4-methylbenzenesulfonate sulfate (1:2:2) (salt);S-Adenosyl-L-methionine disulfate di(4-methylbenzenesulfonate) salt;

标识符

InChIKey：

USWRTUGBVMKBJA-INKMGEERSA-N

Inchi：

1S/C15H22N6O5S.2C7H8O3S.2H2O4S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;2*1-6-2-4-7(5-3-6)11(8,9)10;2*1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);2*2-5H,1H3,(H,8,9,10);2*(H2,1,2,3,4)/t7-,8+,10+,11+,14+,27?;;;;/m0..../s1

SMILES：

[S+](C)(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O.S(C1C=CC(C)=CC=1)(=O)(=O)O.S(C1C=CC(C)=CC=1)(=O)(=O)O.S(=O)(=O)(O)O.S(=O)(=O)([O-])O

[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium; hydrogen sulfate; 4-methylbenzenesulfonic acid; sulfuric acid(58994-55-1)物化性质

实验特性

PSA : 389.03
沸点 : °Cat760mmHg
闪点 : °C

计算特性

精确分子量 : 766.09162
氢键供体数量 : 10
氢键受体数量 : 24
可旋转化学键数量 : 9
同位素质量 : 938.111
重原子数量 : 59
复杂度 : 897
同位素原子数量 : 0
确定原子立构中心数量 : 4
不确定原子立构中心数量 : 1
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 5
拓扑分子极性表面积 : 478A^2

80290-18-2(5-溴-6-氟-2-甲基喹啉) 80261-93-4(Ethanone, 1-(4-amino-2-methylphenyl)-2-chloro- (9CI)) 80270-68-4(N-(1,2,3,4-四氢-8-甲氧基-2-萘基)乙酰胺) 8030-53-3(赤霉素 D) 796966-15-9(（1R,4R）-2,5-二苯基二环[2.2.2]辛-2,5-二烯) 80312-69-2(Boc-Ser-NH2) 80385-33-7(3-PHENOXY-1-PIPERAZIN-1-YL-PROPAN-1-ONE X HCL) 80365-01-1((2-ethoxy-3-methoxybenzyl)amine(SALTDATA: HCl))

960化工网为您提供[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium; hydrogen sulfate; 4-methylbenzenesulfonic acid; sulfuric acid专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.58994-55-1,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:58994-55-1 国际站:58994-55-1

58994-55-1 (([(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium; hydrogen sulfate; 4-methylbenzenesulfonic acid; sulfuric acid)

[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium; hydrogen sulfate; 4-methylbenzenesulfonic acid; sulfuric acid(58994-55-1)名称与标识符

名称

标识符

[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium; hydrogen sulfate; 4-methylbenzenesulfonic acid; sulfuric acid(58994-55-1)物化性质

实验特性

计算特性

目录