9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤 | 16321-99-6
9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤
2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)purine
16321-99-6
C16H18ClN5O7
427.7964
名称和标识符
MDL |
MFCD03425473 |
InChIKey |
HLVGVJFVAKPFOZ-SDBHATRESA-N |
Inchi |
1S/C16H18ClN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3,(H2,18,20,21)/t9-,11-,12-,15-/m1/s1 |
SMILES |
ClC1C2=C(N=C(N([H])[H])N=1)N(C([H])=N2)[C@@]1([H])[C@@]([H])([C@@]([H])([C@@]([H])(C([H])([H])OC(C([H])([H])[H])=O)O1)OC(C([H])([H])[H])=O)OC(C([H])([H])[H])=O |
别名信息
- 中文别名 -
- 2'',3'',5''-三-O-乙酰-2-氨基-6-氯嘌呤核苷
- 2',3',5'-三-O-乙酰-2-氨基-6-氯嘌呤核苷
- (2R,3R,4R,5R)-2-(乙酰氧基甲基)-5-(2-氨基-6-氯-9H-嘌呤-9-基)-四氢呋喃-3,4-二基 二乙酸酯
- 2 ,3 ,5 -三-O-乙酰-2-氨基-6-氯嘌呤核苷
- 2',3',5'-Tri-O-acetyl-2-amino-6-chloropurine Riboside 2',3',5'-三-O-乙酰-2-氨基-6-氯嘌呤核苷
- 9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤
- 2-氨基-6-氯-9-(2',3',5'-三-O-乙酰基-beta-D-呋喃核糖基)嘌呤
- 英文别名 -
- (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(2-amino-6-chloro-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate
- 2',3',5'-Tri-O-acetyl-2-amino-6-chloropurine Riboside
- 2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)purine
- 6-CHLORO-6-DEOXY-2’,3’,5’-TRI-O-ACETYLGUANOSINE
- 9H-Purin-2-amine,6-chloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)-
- NULL
- [(2R,3S,4S,5R)-3,4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate
- ACETIC ACID (2R,3R,4R,5R)-3,4-DIACETOXY-5-(2-AMINO-6-CHLORO-PURIN-9-YL)-TETRAHYDRO-FURAN-2-YLMETHYL ESTER
- 2-Amino-6-chloropurine ribonucleoside triacetate
- 2',3',5'-Tri-O-acetyl-6-chloroguanosine
- NSC 70388
- 2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)purine
- [(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(2-amino-6-chloro-9H-purin-9-yl)oxolan-2-yl]methyl acetate
- HLVGVJFVAKPFOZ-SDBHATRESA-N
- C16H18ClN5O7
- [(2r,3r,4r,5r)-3,4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate
- 8292AA
- 9-(2,3,5-tri- O-acetyl-beta-D-ribofuranosyl)-2-amino-6-chloro-9H-purine
- F12905
- AS-7059
- 2-Chloro-6-amino-9-(2',3',5'-tri-O-acetyl- beta -D-ribofuranosyl)purine
- 2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)purine
- 2',3',5'-Tri-O-acetyl-6-chloro-6-deoxyguanosine
- A810454
- 16321-99-6
- MFCD03425473
- 9-(2',3',5'-Tri-O-acetyl-beta-D-ribofuranosyl)-2-amino-6-chloro-9H-purine
- AKOS015967409
- 9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-2-amino-6-chloro-9H-purine
- 2-Amino-6-chloropurine-9-(2 inverted exclamation mark ,3 inverted exclamation mark ,5 inverted exclamation mark -tri-O-acetyl)-riboside
- 2-amino-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-6-chloro-9H-purine
- (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(2-amino-6-chloro-9H-purin-9-yl)tetrahydrofuran-3,4-diyldiacetate
- SCHEMBL1120550
- T2690
- 9-(2',3',5'-Tri-O-acetyl-beta-D-ribofuranosyl)-2-amino-6-chloro-(9H)-purine
- 9H-Purin-2-amine, 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-
- 2-amino-6-chloro-9-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl) purine
- 2-amino-6-chloro-9-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)purine
- (2R,3R,4R,5R)-4-acetyloxy-5-(acetyloxymethyl)-2-(2-amino-6-chloropurin-9-yl)oxolan-3-yl acetate
- 2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-?-D-ribofuranosyl)purine
物化性质
实验特性
LogP |
0.96700 |
PSA |
157.75000 |
折射率 |
1.69 |
沸点 |
637°C at 760 mmHg |
熔点 |
146.0 to 150.0 deg-C |
闪点 |
339°C |
溶解度 |
几乎不溶 (0.02 g/L) (25 ºC), |
密度 |
1.70±0.1 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
427.08900 |
氢键供体数量 |
1 |
氢键受体数量 |
11 |
可旋转化学键数量 |
8 |
同位素质量 |
427.089 |
重原子数量 |
29 |
复杂度 |
655 |
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 |
0 |
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 |
1 |
疏水参数计算参考值(XlogP) |
0.2 |
拓扑分子极性表面积 |
158 |